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]
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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

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

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]

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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.