Details of the Drug

General Information of Drug (ID: DMBTDZL)

Drug Name
3-Phenyl-pyrrolidine
Synonyms
3-Phenylpyrrolidine; 936-44-7; 3-Phenyl-pyrrolidine; Pyrrolidine, 3-phenyl-; (Pyrrolidin-3-yl)benzene; CHEMBL75207; PRRFFTYUBPGHLE-UHFFFAOYSA-N; F2189-0088; 3-phenyl-pyrolidine; 3-phenyl-pyrollidine; 4-phenyl-pyrrolidine; PubChem22374; BAS 03334576; AC1MK0OA; SCHEMBL4122; AC1Q1H4Y; (+/-)-3-phenyl-pyrrolidine; 3-phenylpyrrolidine, AldrichCPR; KS-00001OYR; CTK3I6515; DTXSID60389848; MolPort-000-006-168; HMS1704P05; 3AAX-0-0; BBL008865; ANW-54854; SBB010168; KM3208; BDBM50144660; STK006609; AKOS000674061; AKOS016051772; MCULE-5600189216
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 147.22
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C10H13N
IUPAC Name
3-phenylpyrrolidine
Canonical SMILES
C1CNCC1C2=CC=CC=C2
InChI
InChI=1S/C10H13N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-5,10-11H,6-8H2
InChIKey
PRRFFTYUBPGHLE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3146743
ChEBI ID
CHEMBL75207
CAS Number
936-44-7
TTD ID
D0GI7S

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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 D2 receptor (D2R) DTT DRD2 2.50E-02 -0.08 -0.49
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Regioselective synthesis of 3-aryl substituted pyrrolidines via palladium catalyzed arylation: pharmacological evaluation for central dopaminergic and serotonergic activity, Bioorg. Med. Chem. Lett. 7(3):241-246 (1997).