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Compound Detail

CHEMBL484884

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N#Cc1cccc(Nc2noc3c(C(=O)Nc4cncnc4)c(Cl)ccc23)c1

Basic Information

ChEMBL ID CHEMBL484884
Phase Preclinical
Structure Type MOL
InChI Key RIYDQAAHSMDBSY-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

390.8
MW (Da)
4.14
ALogP
7
HBA
2
HBD
116.7
PSA (Ų)
0.54
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 C19H11ClN6O2
MW 390.79
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.83

Activity Summary

IC50 2 meas. best 7.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mast/stem cell growth factor receptor Kit
CHEMBL1936
IC50 7.23 7.23 59.0 1
Unchecked
CHEMBL612545
IC50 5.27 5.27 5340.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mast/stem cell growth factor receptor Kit IC50 = 59.0 nM 7.23 Inhibition of c-kit 18723346
Unchecked IC50 = 5340.0 nM 5.27 Inhibition of p38 18723346

Literature References

PubMed DOI Target Context # Activities
18723346 10.1016/j.bmcl.2008.07.111 Unchecked 2
18723346 10.1016/j.bmcl.2008.07.111 Mast/stem cell growth factor receptor Kit 1

Data from ChEMBL 36 via Core Engine