Details of the Drug

General Information of Drug (ID: DMNGEAY)

• Drug Name: GSK-5182
• Synonyms: GSK5182; GSK-5182; GSK 5182; 877387-37-6; (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL; TXF; 4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hydroxy-2-phenylpent-1-en-1-yl]phenol; 2ewp; AC1OA9V8; GTPL8908; CHEMBL201013; SCHEMBL20534177; BDBM22435; AOB1629; EX-A2580; ZINC14978677; 4-hydroxytamoxifen (4-OHT) analog, 15; 4-[(z)-1-[4-(2-dimethylaminoethyloxy)phenyl]-hydroxy-2-phenylpent-1-enyl]phenol; 4-[(Z)-1-[4-(2-dimethylaminoethyloxy)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol

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); 417.5
  Logarithm of the Partition Coefficient (xlogp); 5.9
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C27H31NO3
  IUPAC Name: 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol
  Canonical SMILES: CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCO)\\C2=CC=CC=C2)/C3=CC=C(C=C3)O
  InChI: InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-
  InChIKey: ZVSFNBNLNLXEFQ-RQZHXJHFSA-N
• Cross-matching ID:
  PubChem CID: 6852176
  TTD ID: D09NFD

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] Structure-guided synthesis of tamoxifen analogs with improved selectivity for the orphan ERRgamma. Bioorg Med Chem Lett. 2006 Feb 15;16(4):821-4.