Details of the Drug

General Information of Drug (ID: DM9T0OK)

Drug Name

N-alkyl urea hydroxamic acids

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)

416.5

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C21H32N6O3
IUPAC Name: (2S)-1-N-(3-cyclopentylpropyl)-1-N-[2-(hydroxyamino)prop-2-enyl]-2-N-pyrimidin-2-ylpyrrolidine-1,2-dicarboxamide
Canonical SMILES: C=C(CN(CCCC1CCCC1)C(=O)N2CCC[C@H]2C(=O)NC3=NC=CC=N3)NO
InChI: InChI=1S/C21H32N6O3/c1-16(25-30)15-26(13-4-9-17-7-2-3-8-17)21(29)27-14-5-10-18(27)19(28)24-20-22-11-6-12-23-20/h6,11-12,17-18,25,30H,1-5,7-10,13-15H2,(H,22,23,24,28)/t18-/m0/s1
InChIKey: RQNVLLHARFXNPH-SFHVURJKSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Staphylococcus Peptide deformylase (Stap-coc def)	TTICO5G	DEF_STAAU	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	N-alkyl urea hydroxamic acids as a new class of peptide deformylase inhibitors with antibacterial activity. Antimicrob Agents Chemother. 2002 Sep;46(9):2752-64.