Details of the Drug

General Information of Drug (ID: DM0DRHP)

Drug Name

N-hydroxy-9H-xanthene-9-carboxamide

Synonyms

N-hydroxy-9H-xanthene-9-carboxamide; CHEMBL583490; 9H-Xanthene-9-carboxamide,N-hydroxy-; SCHEMBL2843958; BDBM50300446

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)

241.24

Logarithm of the Partition Coefficient (xlogp)

1.5

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C14H11NO3
IUPAC Name: N-hydroxy-9H-xanthene-9-carboxamide
Canonical SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NO
InChI: InChI=1S/C14H11NO3/c16-14(15-17)13-9-5-1-3-7-11(9)18-12-8-4-2-6-10(12)13/h1-8,13,17H,(H,15,16)
InChIKey: ULUVQBMMAOHWSH-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

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
Histone deacetylase 4 (HDAC4)	DTT	HDAC4	3.51E-03	1.95	1.48

Molecular Expression Atlas (MEA)

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References

1	Diphenylmethylene hydroxamic acids as selective class IIa histone deacetylase inhibitors. Bioorg Med Chem Lett. 2009 Oct 1;19(19):5684-8.