Details of the Drug

General Information of Drug (ID: DMBZ7MA)

• Drug Name: JNJ-26529152
• Synonyms: JNJ-26529152; CHEMBL1088483; BDBM50310372

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)-15-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-5-ol
  Canonical SMILES: COC1=CC2=C(C=C1)C3=C([C@H](O2)C4=CC=C(C=C4)OCCN5CCCCC5)C6=C(C=C(C=C6)O)OCC3
  InChI: InChI=1S/C31H33NO5/c1-34-24-10-12-25-26-13-17-36-28-19-22(33)7-11-27(28)30(26)31(37-29(25)20-24)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: MEGWHNJGIHFDSO-WJOKGBTCSA-N
• Cross-matching ID:
  PubChem CID: 10323679
  TTD ID: D02TPO

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.