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Compound Detail

CHEMBL433815

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O=C(NCc1ccccc1)c1cnn2c1NC(c1ccccc1)C2

Basic Information

ChEMBL ID CHEMBL433815
Phase Preclinical
Structure Type MOL
InChI Key BRFVWGURYXMMJB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
2.98
ALogP
4
HBA
2
HBD
59.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N4O
MW 318.38
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.21

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 10000.0 nM 5.0 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