Details of the Drug

General Information of Drug (ID: DMFRPGX)

Drug Name

(2-Benzyl-phenyl)-(2-pyrrolidin-1-yl-ethyl)-amine

Synonyms

CHEMBL187420; (2-Benzyl-phenyl)-(2-pyrrolidin-1-yl-ethyl)-amine; BDBM50151051

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)

280.4

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C19H24N2
IUPAC Name: 2-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline
Canonical SMILES: C1CCN(C1)CCNC2=CC=CC=C2CC3=CC=CC=C3
InChI: InChI=1S/C19H24N2/c1-2-8-17(9-3-1)16-18-10-4-5-11-19(18)20-12-15-21-13-6-7-14-21/h1-5,8-11,20H,6-7,12-16H2
InChIKey: KMSBBZPJDRRRGH-UHFFFAOYSA-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

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Dopamine D3 receptor (D3R)	DTT	DRD3	2.84E-03	0.13	2

Molecular Expression Atlas (MEA)

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References

1	Dopamine/serotonin receptor ligands. 9. Oxygen-containing midsized heterocyclic ring systems and nonrigidized analogues. A step toward dopamine D5 ... J Med Chem. 2004 Aug 12;47(17):4155-8.