Details of the Drug

General Information of Drug (ID: DMZ4WMT)

• Drug Name: BMS-986104
• Synonyms: Unii-KJ9D084FO4; UNII-KJ9D084FO4; KJ9D084FO4; 1622180-31-7; CHEMBL3806158; SCHEMBL15953811; BPMMYKAHRIEVDH-VOQZNFBZSA-N; J3.582.853B; ((1R,3 S)-1-amino-3-((R)-6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl)methanol; ((1R,3S)-1-amino-3-((R)-6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl)methanol; Cyclopentanemethanol, 1-amino-3-((6R)-6-hexyl-5,6,7,8-tetrahydro-2-naphthalenyl)-, (1R,3S)-

Indication

Disease Entry	ICD 11	Status	REF
Rheumatoid arthritis	FA20	Phase 1	[1]

• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 329.5
  Logarithm of the Partition Coefficient (xlogp); 5.4
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C22H35NO
  IUPAC Name: [(1R,3S)-1-amino-3-[(6R)-6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
  Canonical SMILES: CCCCCC[C@@H]1CCC2=C(C1)C=CC(=C2)[C@H]3CC[C@@](C3)(CO)N
  InChI: InChI=1S/C22H35NO/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-24/h9-10,14,17,21,24H,2-8,11-13,15-16,23H2,1H3/t17-,21+,22-/m1/s1
  InChIKey: BPMMYKAHRIEVDH-VOQZNFBZSA-N
• Cross-matching ID:
  PubChem CID: 77050638
  CAS Number: 1622180-31-7
  DrugBank ID: DB15214
  TTD ID: D0GG7L

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sphingosine-1-phosphate receptor 1 (S1PR1)	TT9JZCK	S1PR1_HUMAN	Modulator	[1]

References

• [1] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)