(S)-PIA   Click here for help

GtoPdb Ligand ID: 415

Synonyms: (S)-PIA
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 125.55
Molecular weight 385.18
XLogP 1.37
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES OCC1OC(C(C1O)O)n1cnc2c1ncnc2NC(Cc1ccccc1)C
Isomeric SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H](Cc1ccccc1)C
InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13+,15+,16+,19+/m0/s1
InChI Key RIRGCFBBHQEQQH-KFAHYOAQSA-N

For advanced searching click here to open chemical structure editor

Similar Ligands Click here for help
adenophostin A
Click here for ligand page
Targets
IP3R1; IP3R2
GR79236
Click here for ligand page
Targets
A1 receptor; A2A receptor
adenosine
Click here for ligand page
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 1; Sodium/nucleoside cotransporter 2; TRPM4; phosphatidylinositol 4-kinase type 2 alpha; phosphatidylinositol 4-kinase type 2 beta... click on ligand to see complete list
adenosine 5'-monophosphate
Click here for ligand page
Targets
AMP kinase; Ecto-5'-Nucleotidase; Peroxisomal membrane protein; TRPM4
regrelor
Click here for ligand page
Targets
P2Y12 receptor
2MeSAMP
Click here for ligand page
Targets
P2Y12 receptor; P2Y13 receptor
A2P5P
Click here for ligand page
Targets
P2Y1 receptor
adenosine-3'-5'-bisphosphate
Click here for ligand page
Targets
P2Y1 receptor
MRS2179
Click here for ligand page
Targets
P2Y1 receptor
I-ABA
Click here for ligand page
Targets
A3 receptor
[125I]APNEA
Click here for ligand page
Targets
A3 receptor
APNEA
Click here for ligand page
Targets
A2A receptor
CGS 24012
Click here for ligand page
Targets
A2A receptor
CV-1674
Click here for ligand page
Targets
A2A receptor
CV-1808
Click here for ligand page
Targets
A2A receptor
N(6)-cyclohexyladenosine
Click here for ligand page
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor
metrifudil
Click here for ligand page
Targets
A2A receptor
(R)-PIA
Click here for ligand page
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor
2-chloroadenosine
Click here for ligand page
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor; Equilibrative nucleoside transporter 1; Equilibrative nucleoside transporter 2
CCPA
Click here for ligand page
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor
[3H]CCPA
Click here for ligand page
Targets
A1 receptor
cyclopentyladenosine
Click here for ligand page
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor
S-adenosyl methionine
Click here for ligand page
Targets
S-Adenosylmethionine carrier; S-Adenosylmethionine decarboxylase
fludarabine
Click here for ligand page
Targets
Equilibrative nucleoside transporter 3; Sodium/nucleoside cotransporter 2; ribonucleotide reductase catalytic subunit M1; ribonucleotide reductase regulatory subunit M2
cordycepin
Click here for ligand page
Targets
Equilibrative nucleoside transporter 3
[3H]nitrobenzylmercaptopurine ribonucleoside
Click here for ligand page
Targets
Equilibrative nucleoside transporter 1
nitrobenzylmercaptopurine ribonucleoside
Click here for ligand page
Targets
Equilibrative nucleoside transporter 1
tubercidin
Click here for ligand page
Targets
Equilibrative nucleoside transporter 1; Equilibrative nucleoside transporter 2; Equilibrative nucleoside transporter 3
vidarabine
Click here for ligand page
Targets
Equilibrative nucleoside transporter 1; Equilibrative nucleoside transporter 2; Sodium/nucleoside cotransporter 2
cladribine
Click here for ligand page
Targets
Equilibrative nucleoside transporter 1; Equilibrative nucleoside transporter 2; Equilibrative nucleoside transporter 3; Sodium/nucleoside cotransporter 2; Solute carrier family 28 member 3
S-adenosyl-L-methioninamine
Click here for ligand page
AMA
Click here for ligand page
Targets
Histidine decarboxylase
2',5'-dideoxyadenosine
Click here for ligand page
5'-dAMP
Click here for ligand page
Targets
Ecto-5'-Nucleotidase
S-adenosylhomocysteine
Click here for ligand page
Targets
S-Adenosylhomocysteine hydrolase
DRB
Click here for ligand page
Targets
Casein kinase 2
3-deazaadenosine
Click here for ligand page
Targets
S-Adenosylhomocysteine hydrolase
2'-deoxyadenosine
Click here for ligand page
Targets
Adenosine deaminase
TCPA
Click here for ligand page
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor
2'-Me-CCPA
Click here for ligand page
Targets
A3 receptor
tecadenoson
Click here for ligand page
Targets
A1 receptor; A2A receptor
GS9667
Click here for ligand page
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor
binodenoson
Click here for ligand page
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor
regadenoson
Click here for ligand page
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor
HEMADO
Click here for ligand page
Targets
A1 receptor; A2A receptor; A2B receptor; A3 receptor
[3H]HEMADO
Click here for ligand page
Targets
A3 receptor
triciribine
Click here for ligand page
5-Cl-5-deoxy-(±)-ENBA
Click here for ligand page
Targets
A1 receptor
clofarabine
Click here for ligand page
Targets
ribonucleotide reductase catalytic subunit M1; ribonucleotide reductase regulatory subunit M2
bromo-deaza-SAH
Click here for ligand page
Targets
DNA methyltransferase 1; DOT1 like histone lysine methyltransferase
AB-NECA
Click here for ligand page
Targets
A2B receptor
DS-437
Click here for ligand page
Targets
protein arginine methyltransferase 5 ; protein arginine methyltransferase 7
LLY-283
Click here for ligand page
Targets
protein arginine methyltransferase 5