Details of the Drug

General Information of Drug (ID: DMEZNXS)

Drug Name

(2-hydroxyphenyl)(4-hydroxyphenyl)methanone

Synonyms

2,4'-Dihydroxybenzophenone; 606-12-2; (2-Hydroxyphenyl)(4-hydroxyphenyl)methanone; Benzophenone, 2,4'-dihydroxy-; Methanone, (2-hydroxyphenyl)(4-hydroxyphenyl)-; CHEMBL510074; HUYKZYIAFUBPAQ-UHFFFAOYSA-N; (2-hydroxyphenyl)-(4-hydroxyphenyl)methanone; Methanone,(2-hydroxyphenyl)(4-hydroxyphenyl)-; NSC2832; ACMC-209mky; AC1Q5FLY; AC1L58KX; Benzophenone,4'-dihydroxy-; Oprea1_236403; 4,2'-dihydroxy-benzophenone; SCHEMBL1568564; CTK5B1906; DTXSID80277556; MolPort-003-809-367; ZINC340411; KS-000014KT; NSC-2832; BDBM50262042; ANW-33536

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)

214.22

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C13H10O3
IUPAC Name: (2-hydroxyphenyl)-(4-hydroxyphenyl)methanone
Canonical SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)O)O
InChI: InChI=1S/C13H10O3/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8,14-15H
InChIKey: HUYKZYIAFUBPAQ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 220295
CAS Number: 606-12-2
TTD ID: D07YPS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial DNA ligase (Bact ligA)	TTGX0HR	DNLJ_ECOLI	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Identification and validation of human DNA ligase inhibitors using computer-aided drug design. J Med Chem. 2008 Aug 14;51(15):4553-62.