2-chloroadenosine   

GtoPdb Ligand ID: 372

Synonyms: 2Cl-Ado | CADO
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 139.54
Molecular weight 301.06
XLogP -0.71
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCC1OC(C(C1O)O)n1cnc2c1nc(Cl)nc2N
Isomeric SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2N
InChI InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
InChI Key BIXYYZIIJIXVFW-UUOKFMHZSA-N

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