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Compound Detail

CHEMBL422175

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CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1ccc(C#N)cc1)C(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL422175
Phase Preclinical
Structure Type MOL
InChI Key UQNRUULZGWBZMV-IEBWSBKVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

387.5
MW (Da)
2.93
ALogP
5
HBA
2
HBD
110.5
PSA (Ų)
0.28
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H29N3O4
MW 387.48
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.13

Activity Summary

IC50 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peptide deformylase
CHEMBL1795101
 IC50 8.15 8.15 7.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peptide deformylase IC50 = 7.0 nM 8.15 Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel co... 14684298

Literature References

PubMed DOI Target Context # Activities
14684298 10.1016/j.bmcl.2003.10.013 Peptide deformylase 1
14684298 10.1016/j.bmcl.2003.10.013 Escherichia coli 1
14684298 10.1016/j.bmcl.2003.10.013 Staphylococcus capitis 1

Data from ChEMBL 36 via Core Engine