Details of the Drug

General Information of Drug (ID: DM4T5DY)

Drug Name
FGIN-1-27
Synonyms
FGIN-1-27; 142720-24-9; N,N-Dihexyl-2-(4-fluorophenyl)indole-3-acetamide; Fgin 1 27; Fgin 1-27; N,N-Di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide; CHEMBL63154; 1H-Indole-3-acetamide, 2-(4-fluorophenyl)-N,N-dihexyl-; 2-(2-(4-fluorophenyl)-1H-indol-3-yl)-N,N-dihexylacetamide; 2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexylacetamide; SR-01000075838; Tocris-0658; Lopac-D-8555; Biomol-NT_000279; Lopac0_000453; MLS002153299; SCHEMBL1229718; BPBio1_001277; AC1L313J; FGIN1-27; CHEBI:92171; CTK8E7869; DTXSID90162141
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): 2 Molecular Weight (mw) 436.6
Logarithm of the Partition Coefficient (xlogp) 7.9
Rotatable Bond Count (rotbonds) 13
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C28H37FN2O
IUPAC Name
2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexylacetamide
Canonical SMILES
CCCCCCN(CCCCCC)C(=O)CC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)F
InChI
InChI=1S/C28H37FN2O/c1-3-5-7-11-19-31(20-12-8-6-4-2)27(32)21-25-24-13-9-10-14-26(24)30-28(25)22-15-17-23(29)18-16-22/h9-10,13-18,30H,3-8,11-12,19-21H2,1-2H3
InChIKey
VUWXAQFLTSBUDB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
132496
ChEBI ID
CHEMBL63154
CAS Number
142720-24-9
TTD ID
D0A0ED
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Translocator protein (TSPO) TTPTXIN TSPO_HUMAN Binder [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Bcl-2-like protein 1 (BCL2L1) OTRC5K9O B2CL1_HUMAN Gene/Protein Processing [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Specific ligands of the peripheral benzodiazepine receptor induce apoptosis and cell cycle arrest in human colorectal cancer cells. Br J Cancer. 2001 Nov 30;85(11):1771-80.
2 Peripheral benzodiazepine receptor ligands induce apoptosis and cell cycle arrest in human hepatocellular carcinoma cells and enhance chemosensitivity to paclitaxel, docetaxel, doxorubicin and the Bcl-2 inhibitor HA14-1. J Hepatol. 2004 Nov;41(5):799-807. doi: 10.1016/j.jhep.2004.07.015.