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]
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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

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

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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)

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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).