Details of the Drug

General Information of Drug (ID: DMTM0UI)

Drug Name
CP-66948
Synonyms N1-[4-(2-Methyl-1H-imidazol-4-yl)-2-thiazolyl]-N3-pentylguanidine; 4-(2-Methylimidazol-4-yl)-2-(N-pentyldiaminomethyleneamino)thiazole
Indication
Disease Entry ICD 11 Status REF
Gastric ulcer DA60 Discontinued in Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 292.41
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C13H20N6S
IUPAC Name
1-[4-(2-methyl-1H-imidazol-5-yl)-1,3-thiazol-2-yl]-2-pentylguanidine
Canonical SMILES
CCCCCN=C(N)NC1=NC(=CS1)C2=CN=C(N2)C
InChI
InChI=1S/C13H20N6S/c1-3-4-5-6-15-12(14)19-13-18-11(8-20-13)10-7-16-9(2)17-10/h7-8H,3-6H2,1-2H3,(H,16,17)(H3,14,15,18,19)
InChIKey
OZSXWXGDJLBJQO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
127772
CAS Number
101189-47-3
TTD ID
D0L9PY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histamine H2 receptor (H2R) TTQHJ1K HRH2_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001137)
2 CP-66,948: an antisecretory histamine H2-receptor antagonist with mucosal protective properties. Dig Dis Sci. 1991 Dec;36(12):1721-8.