Details of the Drug

General Information of Drug (ID: DMLUCSB)

Drug Name
PMID22873688C3a
Synonyms GTPL5911
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
1		 Molecular Weight 467.1
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 7
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 15
Chemical Identifiers
Formula
C11H16BN5O9P2S-
Canonical SMILES
[B-][P@@](=O)(OC[C@@H]1[C@@H]([C@@H](C(O1)N2C=NC3=C(N=C(N=C32)SC)N)O)O)OP(=O)(O)O
InChI
InChI=1S/C11H16BN5O9P2S/c1-29-11-15-8(13)5-9(16-11)17(3-14-5)10-7(19)6(18)4(25-10)2-24-27(12,20)26-28(21,22)23/h3-4,6-7,10,18-19H,2H2,1H3,(H2,13,15,16)(H2,21,22,23)/q-1/t4-,6+,7+,10?,27-/m1/s1
InChIKey
GHMYGRHRUJMVLH-CHJYMILRSA-N
Cross-matching ID
PubChem CID
73755170
TTD ID
D0D4TY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
P2Y purinoceptor 1 (P2RY1) TTA93TL P2RY1_HUMAN Agonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Identification of a promising drug candidate for the treatment of type 2 diabetes based on a P2Y(1) receptor agonist. J Med Chem. 2012 Sep 13;55(17):7623-35.