Details of the Drug

General Information of Drug (ID: DM1QKVL)

Drug Name

VRC3375

Synonyms

VRC3375; AC1LAH4D; CTK6D4143; tert-butyl 1-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl}-l-prolinate; tert-butyl (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxylate; 1-[(R)-2-[2-Oxo-2-(hydroxyamino)ethyl]hexanoyl]-L-proline tert-butyl ester; L-Proline, 1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-1-oxohexyl]-, 1,1-dimethylethyl ester; tert-butyl (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxo-ethyl]hexanoyl]pyrrolidine-2-carboxylate

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)

342.4

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C17H30N2O5
IUPAC Name: tert-butyl (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxylate
Canonical SMILES: CCCC[C@H](CC(=O)NO)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C
InChI: InChI=1S/C17H30N2O5/c1-5-6-8-12(11-14(20)18-23)15(21)19-10-7-9-13(19)16(22)24-17(2,3)4/h12-13,23H,5-11H2,1-4H3,(H,18,20)/t12-,13+/m1/s1
InChIKey: XNOOIEVKOZAJEO-OLZOCXBDSA-N

Cross-matching ID

PubChem CID: 488029
TTD ID: D0B4SJ

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)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Peptide deformylase inhibitors as antibacterial agents: identification of VRC3375, a proline-3-alkylsuccinyl hydroxamate derivative, by using an integrated combinatorial and medicinal chemistry approach. Antimicrob Agents Chemother. 2004 Jan;48(1):250-61.