A3P5PS

Ligand id: 1719

Name: A3P5PS

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 17
Hydrogen bond donors 6
Rotatable bonds 8
Topological polar surface area 303.97
Molecular weight 506.99
XLogP -6.03
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

For advanced searching click here to open chemical structure editor

Similar Ligands
(R,S)-PHPNECA
Targets
A1 receptor; A2A receptor; A3 receptor
2-chloroadenosine
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor; Equilibrative nucleoside transporter 1; Equilibrative nucleoside transporter 2
2-hexynyl-NECA
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor
CCPA
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor
CGS 21680
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor
NECA
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor
PENECA
Targets
A1 receptor; A2A receptor; A3 receptor
[3H]CCPA
Targets
A1 receptor
cyclopentyladenosine
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor
(R)-PIA
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor
(S)-PIA
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor
AB-MECA
Targets
A2A receptor; A3 receptor
APNEA
Targets
A2A receptor
CGS 24012
Targets
A2A receptor
CV-1674
Targets
A2A receptor
CV-1808
Targets
A2A receptor
piclidenoson
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor
N(6)-cyclohexyladenosine
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor
[3H]CGS 21680
Targets
A2A receptor
[3H]NECA
Targets
A2A receptor; A3 receptor
metrifudil
Targets
A2A receptor
AB-NECA
Targets
A2B receptor
[125I]AB-MECA
Targets
A3 receptor
Cl-IB-MECA
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor
I-ABA
Targets
A3 receptor
MPC-MECA
Targets
A3 receptor
[125I]APNEA
Targets
A3 receptor
2',3'-ddATP
Targets
P2Y1 receptor
2MeSADP
Targets
P2Y12 receptor; P2Y13 receptor; P2Y1 receptor
2MeSATP
Targets
P2Y11 receptor; P2Y13 receptor; P2Y1 receptor; P2Y6 receptor
ADP
Targets
P2Y11 receptor; P2Y12 receptor; P2Y13 receptor; P2Y1 receptor; P2Y6 receptor; Peroxisomal membrane protein; SLC25A42; TRPM4; phosphomevalonate kinase
ATP
Targets
GPR17; IP3R1; KNa1.2; Kir6.1; P2X1; P2X2; P2X3; P2X5; P2X6; P2X7; P2Y11 receptor; P2Y2 receptor; P2Y4 receptor; RyR1; RyR3... click on ligand to see complete list
ATPγS
Targets
P2Y11 receptor; P2Y13 receptor; P2Y1 receptor
dATPαS
Targets
P2Y1 receptor
2-chloroadenosine-5-triphosphate
Targets
P2Y1 receptor
A2P5P
Targets
P2Y1 receptor
adenosine-3'-5'-bisphosphate
Targets
P2Y1 receptor
MRS2179
Targets
P2Y1 receptor
Ap4A
Targets
P2Y12 receptor; P2Y13 receptor; P2Y2 receptor; P2Y4 receptor
ADPβS
Targets
P2Y11 receptor; P2Y12 receptor; P2Y13 receptor; P2Y1 receptor
AR-C67085
Targets
P2Y11 receptor; P2Y12 receptor
BzATP
Targets
P2X1; P2X3; P2X7; P2Y11 receptor
dATP
Targets
P2Y11 receptor
[3H]2MeSADP
Targets
P2Y12 receptor; P2Y1 receptor
2MeSAMP
Targets
P2Y12 receptor; P2Y13 receptor
ticagrelor
Targets
Equilibrative nucleoside transporter 1; P2Y12 receptor
INS49266
Targets
P2Y12 receptor
regrelor
Targets
P2Y12 receptor
[33P]2MeSADP
Targets
P2Y13 receptor
cangrelor
Targets
GPR17; P2Y12 receptor; P2Y13 receptor
cyclic AMP
Targets
CNGA1; CNGA2; CNGA3; HCN1; HCN2; HCN4; OATP4C1; TRPM7; phosphodiesterase 10A; phosphodiesterase 11A; phosphodiesterase 4D; phosphodiesterase 5A; phosphodiesterase 7A; phosphodiesterase 7B; phosphodiesterase 8B... click on ligand to see complete list
oleoyl-CoA
Targets
Kir2.1
ADP ribose
Targets
TRPM2
NAADP
Targets
P2Y11 receptor; TRPM2
NAD
Targets
P2Y11 receptor; TRPM2
adenosine 5'-monophosphate
Targets
AMP kinase; Ecto-5'-Nucleotidase; Peroxisomal membrane protein; TRPM4
AMP-PNP
Targets
TRPM4
adenosine
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor; Adenosine deaminase; Adenosine kinase; Equilibrative nucleoside transporter 1; Equilibrative nucleoside transporter 2; Equilibrative nucleoside transporter 3; Plasma membrane monoamine transporter; Sodium/nucleoside cotransporter 2; Solute carrier family 28 member 3; TRPM4; phosphatidylinositol 4-kinase type 2 alpha; phosphatidylinositol 4-kinase type 2 beta... click on ligand to see complete list
acetyl CoA
Targets
Acetyl-CoA carboxylase 1; Acetyl-CoA carboxylase 2; AcetylCoA transporter; acetyl-CoA acetyltransferase 1; hydroxymethylglutaryl-CoA synthase 1
acetoacetyl CoA
Targets
acetyl-CoA acetyltransferase 1; hydroxymethylglutaryl-CoA synthase 1
(S)-3-hydroxy-3-methylglutaryl-CoA
Targets
hydroxymethylglutaryl-CoA reductase; hydroxymethylglutaryl-CoA synthase 1
NADPH
Targets
hydroxymethylglutaryl-CoA reductase; squalene synthase
coenzyme A
Targets
acetyl-CoA acetyltransferase 1
NADP+
GR79236
Targets
A1 receptor; A2A receptor
apadenoson
Targets
A1 receptor; A2A receptor; A3 receptor
MRS2365
Targets
P2Y1 receptor
ARL66096
Targets
P2Y12 receptor
[35S]dATPαS
[35S]ADPβS
Targets
P2Y1 receptor
αβ-meATP
Targets
P2X1; P2X3
adenophostin A
Targets
IP3R1; IP3R2
Ip5I
Targets
P2X1
L-βγ-meATP
Targets
P2X1
NADH
Targets
squalene synthase
[3H]nitrobenzylmercaptopurine ribonucleoside
Targets
Equilibrative nucleoside transporter 1
nitrobenzylmercaptopurine ribonucleoside
Targets
Equilibrative nucleoside transporter 1
[14C]acetylCoA
Targets
AcetylCoA transporter
cordycepin
Targets
Equilibrative nucleoside transporter 3
tubercidin
Targets
Equilibrative nucleoside transporter 1; Equilibrative nucleoside transporter 2; Equilibrative nucleoside transporter 3
S-adenosyl methionine
Targets
S-Adenosylmethionine carrier; S-Adenosylmethionine decarboxylase
cladribine
Targets
Equilibrative nucleoside transporter 1; Equilibrative nucleoside transporter 2; Equilibrative nucleoside transporter 3; Sodium/nucleoside cotransporter 2; Solute carrier family 28 member 3
fludarabine
Targets
Equilibrative nucleoside transporter 3; Sodium/nucleoside cotransporter 2; ribonucleotide reductase catalytic subunit M1; ribonucleotide reductase regulatory subunit M2
vidarabine
Targets
Equilibrative nucleoside transporter 1; Equilibrative nucleoside transporter 2; Sodium/nucleoside cotransporter 2
αβ-methyleneADP
Targets
Ecto-5'-Nucleotidase
[3H]cAMP
Targets
protein kinase A
2',5'-dideoxyadenosine
2'-deoxyadenosine
Targets
Adenosine deaminase
3-deazaadenosine
Targets
S-Adenosylhomocysteine hydrolase
5'-dAMP
Targets
Ecto-5'-Nucleotidase
S-adenosyl-L-methioninamine
A134974
Targets
Adenosine kinase
AMA
Targets
Histidine decarboxylase
8-pCPT-2'-O-Me-cAMP
DRB
Targets
Casein kinase 2
malonyl-CoA
Targets
Malonyl-CoA decarboxylase
methylmalonyl-CoA
N6 benzyl-cAMP
Targets
protein kinase A
propionyl-CoA
Targets
Propionyl-CoA carboxylase
Rp-cAMPS
Targets
protein kinase A
S-adenosylhomocysteine
Targets
S-Adenosylhomocysteine hydrolase
[3H]αβ-meATP
[35S]ATPγS
bucladesine
TCPA
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor
2'-Me-CCPA
Targets
A3 receptor
tecadenoson
Targets
A1 receptor; A2A receptor
GS9667
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor
evodenoson
binodenoson
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor
regadenoson
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor
CP608,039
Targets
A1 receptor; A3 receptor
HEMADO
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor
2-phenylethylyl-adenosine derivative
Targets
A3 receptor
[3H]HEMADO
Targets
A3 receptor
compound 3a [PMID: 22873688]
Targets
P2Y1 receptor
triciribine
[3H]PSB-0413
Targets
P2Y12 receptor
compound 4 [PMID: 23083103]
Targets
P2Y12 receptor
OAADPR
Targets
TRPM2
5-Cl-5-deoxy-(±)-ENBA
Targets
A1 receptor
palmitoyl-CoA
clofarabine
Targets
ribonucleotide reductase catalytic subunit M1; ribonucleotide reductase regulatory subunit M2
bromo-deaza-SAH
Targets
DNA methyltransferase 1; DOT1 like histone lysine methyltransferase
pinometostat
Targets
DOT1 like histone lysine methyltransferase
SGC0946
Targets
DOT1 like histone lysine methyltransferase
mipomersen
EPZ004777
Targets
DOT1 like histone lysine methyltransferase
DZNep
Targets
S-Adenosylhomocysteine hydrolase
DS-437
Targets
protein arginine methyltransferase 5 ; protein arginine methyltransferase 7
UK-432,097
Targets
A2A receptor
2-Cl-ADP(α-BH3)
Targets
P2Y1 receptor
compound 48 [PMID: 25815140]
Targets
Sodium/nucleoside cotransporter 2
ARL 67156
Targets
ectonucleoside triphosphate diphosphohydrolase 1
2'3'-cGAMP
Targets
transmembrane protein 173
nusinersen
LLY-283
Targets
protein arginine methyltransferase 5
ADU-S100
Targets
transmembrane protein 173
MRS7469
Targets
A1 receptor