Details of the Drug

General Information of Drug (ID: DMI319T)

Drug Name

GS 9667

Synonyms

GS-9667; CVT-3619; UNII-6E68796C40; 618380-90-8; 6E68796C40; IZRXENCTXNMAMI-DIJFLQFKSA-N; CVT 3619; GTPL5593; SCHEMBL1150300; CHEMBL3545011; DTXSID40210823; EX-A2686; BDBM50149592; GS9667

Indication

Disease Entry	ICD 11	Status	REF
Hypertriglyceridemia	5C80.1	Phase 1	[1]

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

461.5

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

10

Chemical Identifiers

Formula: C21H24FN5O4S
IUPAC Name: (2S,3S,4R,5R)-2-[(2-fluorophenyl)sulfanylmethyl]-5-[6-[[(1R,2R)-2-hydroxycyclopentyl]amino]purin-9-yl]oxolane-3,4-diol
Canonical SMILES: C1C[C@H]([C@@H](C1)O)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CSC5=CC=CC=C5F)O)O
InChI: InChI=1S/C21H24FN5O4S/c22-11-4-1-2-7-15(11)32-8-14-17(29)18(30)21(31-14)27-10-25-16-19(23-9-24-20(16)27)26-12-5-3-6-13(12)28/h1-2,4,7,9-10,12-14,17-18,21,28-30H,3,5-6,8H2,(H,23,24,26)/t12-,13-,14-,17-,18-,21-/m1/s1
InChIKey: IZRXENCTXNMAMI-DIJFLQFKSA-N

Cross-matching ID

PubChem CID: 11561692
ChEBI ID: CHEMBL3545011
CAS Number: 618380-90-8
TTD ID: D0Z9RJ

Drug-Molecule Activity Atlas (DMA)^NEW

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A1 receptor (ADORA1)	TTK25J1	AA1R_HUMAN	Agonist	[2]

Molecular Interaction Atlas (MIA)

MIA Detail

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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: 5593).
2	Reduction of free fatty acids, safety, and pharmacokinetics of oral GS-9667, an A(1) adenosine receptor partial agonist. J Clin Pharmacol. 2013 Apr;53(4):385-92.