Details of the Drug

General Information of Drug (ID: DM6FLXW)

Drug Name

1-Hydroxyamine-2-Isobutylmalonic Acid

Synonyms

1-HYDROXYAMINE-2-ISOBUTYLMALONIC ACID; (2R)-2-(hydroxycarbamoyl)-4-methylpentanoic acid; AC1O43QE; DB02326

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)

175.18

Logarithm of the Partition Coefficient (xlogp)

0.5

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C7H13NO4
IUPAC Name: (2R)-2-(hydroxycarbamoyl)-4-methylpentanoic acid
Canonical SMILES: CC(C)C[C@H](C(=O)NO)C(=O)O
InChI: InChI=1S/C7H13NO4/c1-4(2)3-5(7(10)11)6(9)8-12/h4-5,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t5-/m1/s1
InChIKey: CINIOMOBGSHXRK-RXMQYKEDSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Matrix metalloproteinase-8 (MMP-8)	TTGA1IV	MMP8_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.