Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL512960

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCC(O)Cn1ncc(C(=O)OCC)c1NC(=O)NC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL512960
Phase Preclinical
Structure Type MOL
InChI Key ZZYZUUMDQKOEFL-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
1.75
ALogP
6
HBA
3
HBD
105.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H26N4O4
MW 326.40
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.25

Activity Summary

IC50 2 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neutrophil
CHEMBL613710
 IC50 9.0 8.35 1.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neutrophil IC50 = 1.0 nM 9.0 Reduction of chemotaxis in human neutrophils assessed as inhibition of IL8-induc... 19362486
Neutrophil IC50 = 20.0 nM 7.7 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