Details of the Drug

General Information of Drug (ID: DMCA4RM)

Drug Name
GW7604
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 370.4
Logarithm of the Partition Coefficient (xlogp) 6.7
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C25H22O3
IUPAC Name
(E)-3-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
Canonical SMILES
CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\\C2=CC=C(C=C2)O)/C3=CC=CC=C3
InChI
InChI=1S/C25H22O3/c1-2-23(19-6-4-3-5-7-19)25(21-13-15-22(26)16-14-21)20-11-8-18(9-12-20)10-17-24(27)28/h3-17,26H,2H2,1H3,(H,27,28)/b17-10+,25-23+
InChIKey
SCVIEONTACSLJA-YGCRUXFTSA-N
Cross-matching ID
PubChem CID
9799518
TTD ID
D04SAO

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Estrogen receptor (ESR) TTZAYWL ESR1_HUMAN Antagonist [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Aminoacyl tRNA synthase complex-interacting multifunctional protein 1 (AIMP1) OTTA5C3U AIMP1_HUMAN Gene/Protein Processing [2]
C-C motif chemokine 5 (CCL5) OTSCA5CK CCL5_HUMAN Gene/Protein Processing [2]
Caspase-4 (CASP4) OTVQTV1L CASP4_HUMAN Gene/Protein Processing [2]
CCHC-type zinc finger nucleic acid binding protein (CNBP) OTTGM9NK CNBP_HUMAN Gene/Protein Processing [2]
Cyclin-dependent kinase inhibitor 1 (CDKN1A) OTQWHCZE CDN1A_HUMAN Gene/Protein Processing [2]
DNA topoisomerase 2-alpha (TOP2A) OT6LPS08 TOP2A_HUMAN Gene/Protein Processing [2]
Dual specificity protein kinase CLK1 (CLK1) OTG1LACW CLK1_HUMAN Gene/Protein Processing [2]
Dynein light chain 1, cytoplasmic (DYNLL1) OTR69LHT DYL1_HUMAN Gene/Protein Processing [2]
Ephrin type-A receptor 1 (EPHA1) OTGJMRZ0 EPHA1_HUMAN Gene/Protein Processing [2]
Estrogen receptor (ESR1) OTKLU61J ESR1_HUMAN Gene/Protein Processing [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Molecular mechanism of action at estrogen receptor alpha of a new clinically relevant antiestrogen (GW7604) related to tamoxifen. Endocrinology. 2001 Feb;142(2):838-46.
2 Gene expression profiles with activation of the estrogen receptor alpha-selective estrogen receptor modulator complex in breast cancer cells expressing wild-type estrogen receptor. Cancer Res. 2002 Aug 1;62(15):4419-26.
3 Characterization of molecular and structural determinants of selective estrogen receptor downregulators. Breast Cancer Res Treat. 2007 May;103(1):37-44. doi: 10.1007/s10549-006-9353-2. Epub 2006 Oct 11.