Details of the Drug

General Information of Drug (ID: DM830FW)

Drug Name

3-phenyl-9H-indeno[1,2-e][1,2,4]triazin-9-one

Synonyms

CHEMBL399620; Aza-heterocyclic Derivative, 4a; BDBM19181; AC1O4770; 3-phenylindeno[1,2-e][1,2,4]triazin-9-one

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

259.26

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C16H9N3O
IUPAC Name: 3-phenylindeno[1,2-e][1,2,4]triazin-9-one
Canonical SMILES: C1=CC=C(C=C1)C2=NC3=C(C(=O)C4=CC=CC=C43)N=N2
InChI: InChI=1S/C16H9N3O/c20-15-12-9-5-4-8-11(12)13-14(15)18-19-16(17-13)10-6-2-1-3-7-10/h1-9H
InChIKey: OERHOWFXDDHRBP-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase type B (MAO-B)	TTGP7BY	AOFB_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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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
Monoamine oxidase type B (MAO-B)	DTT	MAOB	2.65E-02	1.12E-02	0.07

Molecular Expression Atlas (MEA)

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References

1	Synthesis and monoamine oxidase inhibitory activity of new pyridazine-, pyrimidine- and 1,2,4-triazine-containing tricyclic derivatives. J Med Chem. 2007 Nov 1;50(22):5364-71.