General Information of Drug (ID: DMKJYCU)

Drug Name
1-biphenyl-2-ylmethanamine
Synonyms
2-Phenylbenzylamine; 1924-77-2; [1,1'-biphenyl]-2-ylmethanamine; 1-Biphenyl-2-Ylmethanamine; [1,1'-Biphenyl]-2-methanamine; (2-phenylphenyl)methanamine; biphenyl-2-methanamine; CHEMBL257036; (2-phenylphenyl)methylamine; 1-(biphenyl-2-yl)methanamine; biphenyl-2-ylmethanamine hydrochloride; NSC97774; 2-phenylbenzyl amine; 2-aminomethylbiphenyl; biphenyl-2-ylmethylamine; biphenyl-2-ylmethanamine; AC1Q1IHD; (2-biphenylylmethyl)amine; 2-phenylbenzylamine ,98%; 2-phenyl-phenylmethyl amine; c-biphenyl-2-yl-methylamine; SCHEMBL469051
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) 183.25
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C13H13N
IUPAC Name
(2-phenylphenyl)methanamine
Canonical SMILES
C1=CC=C(C=C1)C2=CC=CC=C2CN
InChI
InChI=1S/C13H13N/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9H,10,14H2
InChIKey
YHXKXVFQHWJYOD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
263366
CAS Number
1924-77-2
DrugBank ID
DB07412
TTD ID
D09MVE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dipeptidyl peptidase 4 (DPP-4) TTDIGC1 DPP4_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
Dipeptidyl peptidase 4 (DPP-4) DTT DPP4 9.54E-01 -0.27 -1.85
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.