Details of the Drug

General Information of Drug (ID: DMEVFJW)

Drug Name

2-methyl-9H-indeno[2,1-d]pyrimidin-9-one

Synonyms

2-methyl-9H-indeno[2,1-d]pyrimidin-9-one; 9H-Indeno[2,1-d]pyrimidin-9-one, 2-methyl-; CHEMBL392622; Aza-heterocyclic Derivative, 2a; BDBM19174

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)

196.2

Logarithm of the Partition Coefficient (xlogp)

2.1

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C12H8N2O
IUPAC Name: 2-methylindeno[2,1-d]pyrimidin-9-one
Canonical SMILES: CC1=NC=C2C3=CC=CC=C3C(=O)C2=N1
InChI: InChI=1S/C12H8N2O/c1-7-13-6-10-8-4-2-3-5-9(8)12(15)11(10)14-7/h2-6H,1H3
InChIKey: QMXCHNWJZQMLGG-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.