Details of the Drug

General Information of Drug (ID: DMHPFMV)

Drug Name
E-1455
Synonyms E-1043; Clozapine prodrug (oral, ECLYPS), ProCor Pharmaceuticals
Indication
Disease Entry ICD 11 Status REF
Schizophrenia 6A20 Investigative [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 277.2
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Chemical Identifiers
Formula
C14H20BNO2S
IUPAC Name
2-methylsulfanyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CN=C(C=C2)SC
InChI
InChI=1S/C14H20BNO2S/c1-13(2)14(3,4)18-15(17-13)9-8-11-6-7-12(19-5)16-10-11/h6-10H,1-5H3/b9-8+
InChIKey
MTGNTJQBNWXEMY-CMDGGOBGSA-N
Cross-matching ID
PubChem CID
74890720
TTD ID
D00VSQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine D4 receptor (D4R) TTE0A2F DRD4_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Schizophrenia
ICD Disease Classification 6A20
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine D4 receptor (D4R) DTT DRD4 1.90E-01 0.19 0.76
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. (Target id: 217).