Details of the Drug

General Information of Drug (ID: DM65JCM)

• Drug Name: Biricodar
• Synonyms: Incel; Biricodar [INN]; Vx 710; Incel (TN); 1,7-dipyridin-3-ylheptan-4-yl (2S)-1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate

Indication

Disease Entry	ICD 11	Status	REF
Ovarian cancer	2C73	Discontinued in Phase 2	[1]

• Therapeutic Class: Anticancer Agents
• Affected Organisms: Humans and other mammals
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 603.7
  Logarithm of the Partition Coefficient (xlogp); 5.2
  Rotatable Bond Count (rotbonds); 16
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C34H41N3O7
  IUPAC Name: 1,7-dipyridin-3-ylheptan-4-yl (2S)-1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
  Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)OC(CCCC3=CN=CC=C3)CCCC4=CN=CC=C4
  InChI: InChI=1S/C34H41N3O7/c1-41-29-20-26(21-30(42-2)32(29)43-3)31(38)33(39)37-19-5-4-16-28(37)34(40)44-27(14-6-10-24-12-8-17-35-22-24)15-7-11-25-13-9-18-36-23-25/h8-9,12-13,17-18,20-23,27-28H,4-7,10-11,14-16,19H2,1-3H3/t28-/m0/s1
  InChIKey: CGVWPQOFHSAKRR-NDEPHWFRSA-N
• Cross-matching ID:
  PubChem CID: 3037617
  ChEBI ID: CHEBI:135847
  CAS Number: 159997-94-1
  UNII: 3KG76X4KJK
  DrugBank ID: DB04851
  TTD ID: D02VJY
  VARIDT ID: DR00508

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Multidrug resistance protein 1 (ABCB1)	TT3OT40	MDR1_HUMAN	Modulator	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Ovarian cancer
• ICD Disease Classification: 2C73

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Multidrug resistance protein 1 (ABCB1)	DTT	ABCB1	3.12E-33	-0.83	-1.04

References

• [1] ClinicalTrials.gov (NCT00003847) VX-710, Doxorubicin, and Vincristine for the Treatment of Patients With Recurrent Small Cell Lung Cancer. U.S. National Institutes of Health.