Details of the Drug

General Information of Drug (ID: DMJ1DE9)

• Drug Name: JNJ-17148066
• Synonyms: CHEMBL1088485; SCHEMBL14277842; BDBM50310388

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); 485.6
  Logarithm of the Partition Coefficient (xlogp); 4.8
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C30H31NO5
  IUPAC Name: (19R)-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-heptaene-5,15-diol
  Canonical SMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)[C@@H]3C4=C(CCOC5=C4C=CC(=C5)O)C6=C(O3)C=C(C=C6)O
  InChI: InChI=1S/C30H31NO5/c32-21-7-11-26-27(18-21)35-16-12-25-24-10-6-22(33)19-28(24)36-30(29(25)26)20-4-8-23(9-5-20)34-17-15-31-13-2-1-3-14-31/h4-11,18-19,30,32-33H,1-3,12-17H2/t30-/m1/s1
  InChIKey: OFYZVZJXVRFMIW-SSEXGKCCSA-N
• Cross-matching ID:
  PubChem CID: 44597742
  TTD ID: D00DJX

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.