Details of the Drug

General Information of Drug (ID: DMB9Z4C)

Drug Name
PD-160170
Synonyms NCGC00092332-01; BRD-K12079898-001-01-8; 5-nitro-6-(2-propan-2-ylphenyl)sulfonyl-quinolin-8-amine
Indication
Disease Entry ICD 11 Status REF
Heart disease BA41-BA42 Preclinical [1]
Hypertension BA00-BA04 Preclinical [1]
Obesity 5B81 Preclinical [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 371.4
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C18H17N3O4S
IUPAC Name
5-nitro-6-(2-propan-2-ylphenyl)sulfonylquinolin-8-amine
Canonical SMILES
CC(C)C1=CC=CC=C1S(=O)(=O)C2=C(C3=C(C(=C2)N)N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H17N3O4S/c1-11(2)12-6-3-4-8-15(12)26(24,25)16-10-14(19)17-13(7-5-9-20-17)18(16)21(22)23/h3-11H,19H2,1-2H3
InChIKey
YUVNGBZROXQYQH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9820766
ChEBI ID
CHEBI:92206
CAS Number
181468-88-2
TTD ID
D0Q3UL
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Neuropeptide Y receptor type 1 (NPY1R) TTRK9JT NPY1R_HUMAN Antagonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Emerging drugs for obesity: linking novel biological mechanisms to pharmaceutical pipelines. Expert Opin Emerg Drugs. 2005 Aug;10(3):643-60.