Details of the Drug

General Information of Drug (ID: DM7WPGN)

Drug Name

4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME

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)

247.29

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C14H17NO3
IUPAC Name: [(Z)-(4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate
Canonical SMILES: C1CCC(CC1)C(=O)O/N=C\\C2=CC=C(C=C2)O
InChI: InChI=1S/C14H17NO3/c16-13-8-6-11(7-9-13)10-15-18-14(17)12-4-2-1-3-5-12/h6-10,12,16H,1-5H2/b15-10-
InChIKey: YWZBYSBZDQWXGQ-GDNBJRDFSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Macrophage migration inhibitory factor (MIF)	TT2AST1	MIF_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.