Details of the Drug

General Information of Drug (ID: DM5DPHO)

Drug Name

BIPHENYL-4-YL-ACETALDEHYDE

Synonyms

2-([1,1'-biphenyl]-4-yl)acetaldehyde; 61502-90-7; 2-(4-phenylphenyl)acetaldehyde; 4-biphenylacetaldehyde; 2-{[1,1'-biphenyl]-4-yl}acetaldehyde; AC1MRDQD; (biphenyl-4-yl)ethanone; SCHEMBL850634; 2-(biphenyl-4-yl)acetaldehyde; CTK2D8632; DTXSID30392980; OIDMZCMVYZLDLI-UHFFFAOYSA-N; MolPort-020-915-677; [1,1'-Biphenyl]-4-acetaldehyde; ZINC2581188; AKOS006278290; AS-49992; BP4

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)

196.24

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C14H12O
IUPAC Name: 2-(4-phenylphenyl)acetaldehyde
Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CC=O
InChI: InChI=1S/C14H12O/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2
InChIKey: OIDMZCMVYZLDLI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3491292
CAS Number: 61502-90-7
TTD ID: D02RWL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cathepsin L (CTSL)	TT36ETB	CATL1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

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