Details of the Drug

General Information of Drug (ID: DMRWDX5)

Drug Name
A-134974
Synonyms a-134974; GTPL5130; CHEMBL1591918; ZINC3827162; SMP2_000021; NCGC00186045-01; A134974; A 134974
Indication
Disease Entry ICD 11 Status REF
Epilepsy 8A60-8A68 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 375.17
Logarithm of the Partition Coefficient (xlogp) -1.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C11H14IN5O2
IUPAC Name
(1S,2R,3S,5R)-3-amino-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol
Canonical SMILES
C1[C@@H]([C@H]([C@H]([C@@H]1N2C=C(C3=C(N=CN=C32)N)I)O)O)N
InChI
InChI=1S/C11H14IN5O2/c12-4-2-17(6-1-5(13)8(18)9(6)19)11-7(4)10(14)15-3-16-11/h2-3,5-6,8-9,18-19H,1,13H2,(H2,14,15,16)/t5-,6+,8+,9-/m0/s1
InChIKey
NSXJHIFQIZKLGF-LWIVVEGESA-N
Cross-matching ID
PubChem CID
9885936
TTD ID
D0S9XV

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adenosine kinase (ADK) TTL732K ADK_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5130).
2 Effects of A-134974, a novel adenosine kinase inhibitor, on carrageenan-induced inflammatory hyperalgesia and locomotor activity in rats: evaluation of the sites of action. J Pharmacol Exp Ther. 2001Feb;296(2):501-9.