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
ChEBI ID
CHEMBL195515
TTD ID
D04SAO
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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]
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]
Dynein light chain 1, cytoplasmic (DYNLL1) OTR69LHT DYL1_HUMAN Gene/Protein Processing [2]
GA-binding protein alpha chain (GABPA) OT9YB2SA GABPA_HUMAN Gene/Protein Processing [2]
Mitogen-activated protein kinase kinase kinase 11 (MAP3K11) OT0EYZAY M3K11_HUMAN Gene/Protein Processing [2]
Ras-related protein Rab-2A (RAB2A) OT6SK83U RAB2A_HUMAN Gene/Protein Processing [2]
Transcription factor Jun (JUN) OTCYBO6X JUN_HUMAN Gene/Protein Processing [2]
Transcription initiation factor TFIID subunit 9 (TAF9) OTCTH3C6 TAF9_HUMAN Gene/Protein Processing [2]
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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.