Details of the Drug

General Information of Drug (ID: DMMDS2T)

Drug Name

2-phenyl-5H-indeno[1,2-d]pyrimidine

Synonyms

2-phenyl-5H-indeno[1,2-d]pyrimidine; CHEMBL241206; Aza-heterocyclic Derivative, 3b; SCHEMBL18015923; BDBM19179

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)

244.29

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C17H12N2
IUPAC Name: 2-phenyl-5H-indeno[1,2-d]pyrimidine
Canonical SMILES: C1C2=CC=CC=C2C3=NC(=NC=C31)C4=CC=CC=C4
InChI: InChI=1S/C17H12N2/c1-2-6-12(7-3-1)17-18-11-14-10-13-8-4-5-9-15(13)16(14)19-17/h1-9,11H,10H2
InChIKey: GOMPLLCNQNCUNU-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 A (MAO-A)	TT3WG5C	AOFA_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 A (MAO-A)	DTT	MAOA	8.14E-01	0.05	0.1

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.