Details of the Drug

General Information of Drug (ID: DM4D6ZB)

• Drug Name: BMS-1
• Synonyms: 474429-87-3; Carbamic acid,N-[6-(2-methyl-4,5-diphenyl-1H-imidazol-1-yl)hexyl]-,2-fluorophenyl ester; SCHEMBL1709522; CHEMBL232782; bisarylimidazole derivative, 17; BDBM26758; ZINC1912275; KB-75932; 2-fluorophenyl N-[6-(2-methyl-4,5-diphenyl-1H-imidazol-1-yl)hexyl]carbamate

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 475.6
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C29H33NO5
  IUPAC Name: (2S)-1-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]piperidine-2-carboxylic acid
  Canonical SMILES: CC1=C(C=CC=C1C2=CC=CC=C2)COC3=CC(=C(C(=C3)OC)CN4CCCC[C@H]4C(=O)O)OC
  InChI: InChI=1S/C29H33NO5/c1-20-22(12-9-13-24(20)21-10-5-4-6-11-21)19-35-23-16-27(33-2)25(28(17-23)34-3)18-30-15-8-7-14-26(30)29(31)32/h4-6,9-13,16-17,26H,7-8,14-15,18-19H2,1-3H3,(H,31,32)/t26-/m0/s1
  InChIKey: ZBOYJODMIAUJHH-SANMLTNESA-N
• Cross-matching ID:
  PubChem CID: 91663303
  TTD ID: D02BZV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fatty acid amide hydrolase (FAAH)	TTDP1UC	NOUNIPROTAC	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
Fatty acid amide hydrolase (FAAH)	DTT	NO-GeName	2.65E-01	0.02	0.1

References

• [1] Synthesis and evaluation of benzothiazole-based analogues as novel, potent, and selective fatty acid amide hydrolase inhibitors. J Med Chem. 2009 Jan 8;52(1):170-80.