Details of the Drug

General Information of Drug (ID: DM40E1T)

Drug Name

4,3'',5''-trimethoxy-[1,1':3',1'']-terphenyl

Synonyms

CHEMBL206919; BDBM50186761

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): 1

Molecular Weight (mw)

320.4

Logarithm of the Partition Coefficient (xlogp)

5.1

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C21H20O3
IUPAC Name: 1,3-dimethoxy-5-[3-(4-methoxyphenyl)phenyl]benzene
Canonical SMILES: COC1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC(=CC(=C3)OC)OC
InChI: InChI=1S/C21H20O3/c1-22-19-9-7-15(8-10-19)16-5-4-6-17(11-16)18-12-20(23-2)14-21(13-18)24-3/h4-14H,1-3H3
InChIKey: MDKFFJFTEBNHAN-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fusion protein Bcr-Abl (Bcr-Abl)	TTS7G69	BCR_HUMAN-ABL1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Identification of a terphenyl derivative that blocks the cell cycle in the G0-G1 phase and induces differentiation in leukemia cells. J Med Chem. 2006 May 18;49(10):3012-8.