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Compound Detail

CHEMBL421307

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CC(C(=O)NO)N(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL421307
Phase Preclinical
Structure Type MOL
InChI Key YKYVREYREMAPJP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.3
MW (Da)
2.80
ALogP
5
HBA
3
HBD
124.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16F2N4O5
MW 394.33
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.88

Activity Summary

Ki 1 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Collagenase ColA
CHEMBL2802
 Ki 7.92 7.92 12.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Collagenase ColA Ki = 12.0 nM 7.92 Inhibitory activity against clostridium histolyticum collagenase 11405662

Literature References

PubMed DOI Target Context # Activities
11405662 10.1021/jm010087e Collagenase ColA 1

Data from ChEMBL 36 via Core Engine