Details of the Drug

General Information of Drug (ID: DMRY2ZC)

Drug Name

3'',5''-dimethoxy-[1,1':2',1'']-terphenyl-4-ol

Synonyms

CHEMBL207240; ZINC35929342; BDBM50186755

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)

306.4

Logarithm of the Partition Coefficient (xlogp)

4.8

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C20H18O3
IUPAC Name: 4-[2-(3,5-dimethoxyphenyl)phenyl]phenol
Canonical SMILES: COC1=CC(=CC(=C1)C2=CC=CC=C2C3=CC=C(C=C3)O)OC
InChI: InChI=1S/C20H18O3/c1-22-17-11-15(12-18(13-17)23-2)20-6-4-3-5-19(20)14-7-9-16(21)10-8-14/h3-13,21H,1-2H3
InChIKey: WBVVLROKTBXXTP-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.