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Compound Detail

CHEMBL466113

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CCOC(=O)c1cnn(C)c1NC(=O)NCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL466113
Phase Preclinical
Structure Type MOL
InChI Key FPWJZKBGUIZUKP-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
1.92
ALogP
5
HBA
2
HBD
85.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18N4O3
MW 302.33
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.84

Activity Summary

IC50 2 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neutrophil
CHEMBL613710
 IC50 8.89 8.32 1.3 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neutrophil IC50 = 1.3 nM 8.89 Reduction of chemotaxis in human neutrophils assessed as inhibition of IL8-induc... 19362486
Neutrophil IC50 = 18.0 nM 7.75 Reduction of chemotaxis in human neutrophils assessed as inhibition of fMLP-OMe-... 19362486

Literature References

PubMed DOI Target Context # Activities
19362486 10.1016/j.bmc.2009.03.035 Neutrophil 2
19362486 10.1016/j.bmc.2009.03.035 ADMET 1

Data from ChEMBL 36 via Core Engine