Details of the Drug

General Information of Drug (ID: DMEL15U)

Drug Name
FK-143
Synonyms
FK-143; Fk 143; CHEMBL25083; 163136-03-6; 4-[3-[3-[bis(4-isobutylphenyl)methylamino]benzoyl]indol-1-yl]butyric acid; 4-[3-[3-(bis[4-isobutylphenyl)methylamino]benzoyl]indol-1-yl]butyric acid; SCHEMBL3504489; AC1L435G; CTK0H5706; DTXSID80167524; LACIBZRFAYFTOV-UHFFFAOYSA-N; BDBM50057477; 1H-Indole-1-butanoicacid, 3-[3-[[bis[4-(2-methylpropyl)phenyl]methyl]amino]benzoyl]-; 4-[3-[3-[bis[4-(2-methylpropyl)phenyl]methylamino]benzoyl]indol-1-yl]butanoic acid
Indication
Disease Entry ICD 11 Status REF
Prostate disease GA91 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 600.8
Logarithm of the Partition Coefficient (xlogp) 9.5
Rotatable Bond Count (rotbonds) 14
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C40H44N2O3
IUPAC Name
4-[3-[3-[bis[4-(2-methylpropyl)phenyl]methylamino]benzoyl]indol-1-yl]butanoic acid
Canonical SMILES
CC(C)CC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC(C)C)NC3=CC=CC(=C3)C(=O)C4=CN(C5=CC=CC=C54)CCCC(=O)O
InChI
InChI=1S/C40H44N2O3/c1-27(2)23-29-14-18-31(19-15-29)39(32-20-16-30(17-21-32)24-28(3)4)41-34-10-7-9-33(25-34)40(45)36-26-42(22-8-13-38(43)44)37-12-6-5-11-35(36)37/h5-7,9-12,14-21,25-28,39,41H,8,13,22-24H2,1-4H3,(H,43,44)
InChIKey
LACIBZRFAYFTOV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
178077
ChEBI ID
CHEMBL25083
CAS Number
163136-03-6
TTD ID
D0J3CT
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Oxo-5-alpha-steroid 4-dehydrogenase (SRD5A) TT2A0DR S5A1_HUMAN ; S5A2_HUMAN ; PORED_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003112)
2 FK143, a novel nonsteroidal inhibitor of steroid 5 alpha-reductase: (1) In vitro effects on human and animal prostatic enzymes. J Steroid Biochem Mol Biol. 1995 Apr;52(4):357-63.