Details of the Drug

General Information of Drug (ID: DMQ8NTZ)

Drug Name
192C86
Synonyms BW-192C86
Indication
Disease Entry ICD 11 Status REF
Thrombosis DB61-GB90 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 411.6
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C20H33N3O4S
IUPAC Name
4-[[3-[(E)-(2-cyclohexyl-2-hydroxyethylidene)amino]-1-ethyl-2-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-5-yl]sulfanyl]butanoic acid
Canonical SMILES
CCN1C2CC(CC2N(C1=O)/N=C/C(C3CCCCC3)O)SCCCC(=O)O
InChI
InChI=1S/C20H33N3O4S/c1-2-22-16-11-15(28-10-6-9-19(25)26)12-17(16)23(20(22)27)21-13-18(24)14-7-4-3-5-8-14/h13-18,24H,2-12H2,1H3,(H,25,26)/b21-13+
InChIKey
YDMMNNOYPGHBEY-FYJGNVAPSA-N
Cross-matching ID
PubChem CID
9576901
CAS Number
139147-26-5
TTD ID
D0NU6Y

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Prostaglandin D2 receptor (PTGDR) TTNVEIR PD2R_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Thrombosis
ICD Disease Classification DB61-GB90
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Prostaglandin D2 receptor (PTGDR) DTT PTGDR 7.32E-02 -0.05 -0.2
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 The effect of a prostaglandin DP-receptor partial agonist (192C86) on platelet aggregation and the cardiovascular system in healthy volunteers. Br J Clin Pharmacol. 1992 Oct;34(4):344-51.
2 Prostanoid receptor antagonists: development strategies and therapeutic applications. Br J Pharmacol. 2009 September; 158(1): 104-145.