Details of the Drug

General Information of Drug (ID: DMK6TVN)

• Drug Name: JNJ-26529126
• Synonyms: JNJ-26529126; CHEMBL1088343; BDBM50310407

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 499.6
  Logarithm of the Partition Coefficient (xlogp); 5.2
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C31H33NO5
  IUPAC Name: (19R)-5-methoxy-19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-15-ol
  Canonical SMILES: COC1=CC2=C(C=C1)C3=C(CCO2)C4=C(C=C(C=C4)O)O[C@@H]3C5=CC=C(C=C5)OCCN6CCCCC6
  InChI: InChI=1S/C31H33NO5/c1-34-24-10-12-27-28(20-24)36-17-13-26-25-11-7-22(33)19-29(25)37-31(30(26)27)21-5-8-23(9-6-21)35-18-16-32-14-3-2-4-15-32/h5-12,19-20,31,33H,2-4,13-18H2,1H3/t31-/m1/s1
  InChIKey: BHYFKQDXXVAJEL-WJOKGBTCSA-N
• Cross-matching ID:
  PubChem CID: 9848809
  TTD ID: D0X0RJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Estrogen receptor (ESR)	TTZAYWL	ESR1_HUMAN	Inhibitor	[1]

References

• [1] Identification and structure-activity relationships of chromene-derived selective estrogen receptor modulators for treatment of postmenopausal symp... J Med Chem. 2009 Dec 10;52(23):7544-69.