Details of the Drug

General Information of Drug (ID: DMZWU8V)

Drug Name

E-2040

Indication

Disease Entry	ICD 11	Status	REF
Schizophrenia	6A20	Terminated	[1]

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

290.17

Topological Polar Surface Area

Not Available

Rotatable Bond Count

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Chemical Identifiers

Formula: C15H23BN2O3
IUPAC Name: 4-ethoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine
Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CN=C(C=C2OCC)N
InChI: InChI=1S/C15H23BN2O3/c1-6-19-12-9-13(17)18-10-11(12)7-8-16-20-14(2,3)15(4,5)21-16/h7-10H,6H2,1-5H3,(H2,17,18)/b8-7+
InChIKey: LHNZICNYYCFWCS-BQYQJAHWSA-N

Cross-matching ID

PubChem CID: 74889592
TTD ID: D0P3IZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 2 receptor (5HT2R)	TTYSN63	NOUNIPROTAC	Modulator	[2]
Dopamine D2 receptor (D2R)	TTEX248	DRD2_HUMAN	Modulator	[2]
Dopamine D3 receptor (D3R)	TT4C8EA	DRD3_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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 D2 receptor (D2R)	DTT	DRD2	2.50E-02	-0.08	-0.49

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

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