Details of the Drug

General Information of Drug (ID: DMLK4X5)

Drug Name
EGIS-7625
Synonyms UNII-ZD6AG3N96D; ZD6AG3N96D; EGIS-7625; EGIS-7625 free base; GTPL176; SCHEMBL7430234; Benzenamine, 2-methyl-4-nitro-5-(4-(phenylmethyl)-1-piperazinyl)-; 751462-86-9; L017292
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 399.3
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Chemical Identifiers
Formula
C18H24Cl2N4O2
IUPAC Name
5-(4-benzylpiperazin-1-yl)-2-methyl-4-nitroaniline;dihydrochloride
Canonical SMILES
CC1=CC(=C(C=C1N)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-].Cl.Cl
InChI
InChI=1S/C18H22N4O2.2ClH/c1-14-11-18(22(23)24)17(12-16(14)19)21-9-7-20(8-10-21)13-15-5-3-2-4-6-15;;/h2-6,11-12H,7-10,13,19H2,1H3;2*1H
InChIKey
AYRFPZMTRYDWGP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9930788
CAS Number
755040-97-2
TTD ID
D0W7GQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 2A receptor (HTR2A) TTJQOD7 5HT2A_HUMAN Antagonist [2]
5-HT 2B receptor (HTR2B) TT0K1SC 5HT2B_HUMAN Antagonist [2]
5-HT 2C receptor (HTR2C) TTWJBZ5 5HT2C_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
5-HT 2C receptor (HTR2C) DTT HTR2C 1.02E-02 -0.45 -0.37
5-HT 2C receptor (HTR2C) DTT HTR2C 2.27E-01 0.27 0.6
5-HT 2A receptor (HTR2A) DTT HTR2A 1.68E-01 -0.3 -0.14
5-HT 2A receptor (HTR2A) DTT HTR2A 5.59E-01 0.15 0.21
5-HT 2B receptor (HTR2B) DTT HTR2B 1.29E-01 -0.04 -0.14
5-HT 2B receptor (HTR2B) DTT HTR2B 1.13E-01 -0.04 -0.26
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 176).
2 Effects of EGIS-7625, a selective and competitive 5-HT2B receptor antagonist. Cardiovasc Drugs Ther. 2003 Sep-Nov;17(5-6):427-34.