Details of the Drug

General Information of Drug (ID: DMVOY4D)

Drug Name

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

Synonyms

CHEMBL208098; BDBM50186757; ZINC35856323

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)

278.3

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C18H14O3
IUPAC Name: 5-[2-(4-hydroxyphenyl)phenyl]benzene-1,3-diol
Canonical SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)O)C3=CC(=CC(=C3)O)O
InChI: InChI=1S/C18H14O3/c19-14-7-5-12(6-8-14)17-3-1-2-4-18(17)13-9-15(20)11-16(21)10-13/h1-11,19-21H
InChIKey: UGGGRFWZAHTXBI-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Multidrug resistance protein 1 (ABCB1)	TT3OT40	MDR1_HUMAN	Inhibitor	[1]
Tyrosine-protein kinase ABL1 (ABL)	TT3PJMV	ABL1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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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
Multidrug resistance protein 1 (ABCB1)	DTT	ABCB1	3.12E-33	-0.83	-1.04

Molecular Expression Atlas (MEA)

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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.