Details of the Drug

General Information of Drug (ID: DMGSRLA)

• Drug Name: GNF-PF-1967
• Synonyms: GNF-PF-1967; AC1NEHJX; CHEMBL374744; MolPort-007-587-747; AKOS021661170; AKOS001495347; MCULE-7181472168; SR-01000549442; SR-01000549442-1; N-[2-(diethylamino)ethyl]-2-(4-fluorobenzyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 503.6
  Logarithm of the Partition Coefficient (xlogp); 4.3
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C30H34FN3O3
  IUPAC Name: N-[2-(diethylamino)ethyl]-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
  Canonical SMILES: CCN(CC)CCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)CC3=CC=C(C=C3)F)C4=CC=C(C=C4)OC
  InChI: InChI=1S/C30H34FN3O3/c1-4-33(5-2)19-18-32-29(35)27-25-8-6-7-9-26(25)30(36)34(20-21-10-14-23(31)15-11-21)28(27)22-12-16-24(37-3)17-13-22/h6-17,27-28H,4-5,18-20H2,1-3H3,(H,32,35)
  InChIKey: ACZABABCHZPYHY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 4617502
  TTD ID: D06HWI
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated calcium channel alpha Cav3.2 (CACNA1H)	TTZPWGN	CAC1H_HUMAN	Inhibitor	[1]

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
Voltage-gated calcium channel alpha Cav3.2 (CACNA1H)	DTT	CACNA1H	1.31E-04	-0.76	-2.12

References

• [1] 3D pharmacophore based virtual screening of T-type calcium channel blockers. Bioorg Med Chem. 2007 Jan 15;15(2):1091-105.