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Compound Detail

CHEMBL231432

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O=C(c1cnn2c1NC(c1ccccc1)C2)N1CCCCC1

Basic Information

ChEMBL ID CHEMBL231432
Phase Preclinical
Structure Type MOL
InChI Key JREZOHWEVMLVDH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
2.68
ALogP
4
HBA
1
HBD
50.2
PSA (Ų)
0.93
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N4O
MW 296.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.19

Activity Summary

IC50 1 meas. best 8.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 8.83 8.83 1.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1.48 nM 8.83 Inhibition of fMLP-OMe-induced chemotaxis in human neutrophils 17475488

Literature References

PubMed DOI Target Context # Activities
17475488 10.1016/j.bmcl.2007.04.036 Unchecked 3
17475488 10.1016/j.bmcl.2007.04.036 fMet-Leu-Phe receptor 1

Data from ChEMBL 36 via Core Engine