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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:92171
CAS Number: 142720-24-9
TTD ID: D0A0ED

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]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Apoptosis regulator BAX (BAX)	OTAW0V4V	BAX_HUMAN	Gene/Protein Processing	[2]
Apoptosis regulator Bcl-2 (BCL2)	OT9DVHC0	BCL2_HUMAN	Gene/Protein Processing	[2]
Bcl-2-like protein 1 (BCL2L1)	OTRC5K9O	B2CL1_HUMAN	Gene/Protein Processing	[2]
Caspase-3 (CASP3)	OTIJRBE7	CASP3_HUMAN	Gene/Protein Processing	[2]
Cytochrome P450 2B6 (CYP2B6)	OTOYO4S7	CP2B6_HUMAN	Gene/Protein Processing	[3]
Cytochrome P450 3A4 (CYP3A4)	OTQGYY83	CP3A4_HUMAN	Gene/Protein Processing	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.
3	Modulation of constitutive androstane receptor (CAR) and pregnane X receptor (PXR) by 6-arylpyrrolo[2,1-d][1,5]benzothiazepine derivatives, ligands of peripheral benzodiazepine receptor (PBR). Toxicol Lett. 2011 Apr 25;202(2):148-54.