Details of the Drug

General Information of Drug (ID: DMVUBGF)

Drug Name
GNF-PF-1550
Synonyms
GNF-PF-1550; CHEMBL196573; MolPort-007-587-167; HMS1621O13; ZINC13671923; BDBM50172447; AKOS001782657; SR-01000549061; SR-01000549061-1; (2E)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)acrylamide
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 430.5
Logarithm of the Partition Coefficient (xlogp) 4.4
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C26H30N4O2
IUPAC Name
(E)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)prop-2-enamide
Canonical SMILES
CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)/C=C/C4=CC=C(C=C4)OC)C(=C2)C
InChI
InChI=1S/C26H30N4O2/c1-4-29-13-15-30(16-14-29)25-17-19(2)23-18-21(8-11-24(23)28-25)27-26(31)12-7-20-5-9-22(32-3)10-6-20/h5-12,17-18H,4,13-16H2,1-3H3,(H,27,31)/b12-7+
InChIKey
BYSCWUNLAIWJED-KPKJPENVSA-N
Cross-matching ID
PubChem CID
44403742
TTD ID
D06KLQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Melanin-concentrating hormone receptor 1 (MCHR1) TTX4RTB MCHR1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Melanin-concentrating hormone receptor 1 (MCHR1) DTT MCHR1 6.98E-01 -0.01 -0.04
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 6-Acylamino-2-aminoquinolines as potent melanin-concentrating hormone 1 receptor antagonists. Identification, structure-activity relationship, and ... J Med Chem. 2005 Sep 8;48(18):5684-97.