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Compound Detail

CHEMBL406375

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c1ccc(-c2n[nH]c3c2oc2ccccc23)cc1

Basic Information

ChEMBL ID CHEMBL406375
Phase Preclinical
Structure Type MOL
InChI Key DZQLVVLATXPWBK-UHFFFAOYSA-N
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

234.3
MW (Da)
3.98
ALogP
2
HBA
1
HBD
41.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10N2O
MW 234.26
Aromatic Rings 4
Heavy Atoms 18
NP-Likeness -0.43

Activity Summary

IC50 6 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 6.52 6.52 300.0 1
Mast/stem cell growth factor receptor Kit
CHEMBL1936
IC50 6.52 6.52 300.0 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 6.52 6.52 300.0 1
Unchecked
CHEMBL612545
IC50 6.52 6.52 300.0 1
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 6.0 6.0 1000.0 1
Histone deacetylase 6
CHEMBL1865
IC50 5.71 5.71 1949.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18077363 10.1073/pnas.0708800104 Unchecked 4
23398362 10.1042/bj20121418 Insulin-like growth factor 1 receptor 4
- 10.6019/CHEMBL4808148 Histone deacetylase 6 4
23398362 10.1042/bj20121418 Serine/threonine-protein kinase mTOR 4
23398362 10.1042/bj20121418 Tyrosine-protein kinase HCK 4
23398362 10.1042/bj20121418 Tyrosine-protein kinase Lck 4
23398362 10.1042/bj20121418 Cyclin-dependent kinase 5/CDK5 activator 1 4
23398362 10.1042/bj20121418 Insulin receptor 4
23398362 10.1042/bj20121418 cGMP-dependent protein kinase 1 4
23398362 10.1042/bj20121418 Protein kinase C beta type 4
23398362 10.1042/bj20121418 Inhibitor of nuclear factor kappa-B kinase subunit alpha 2
23398362 10.1042/bj20121418 Casein kinase I isoform delta 2
23398362 10.1042/bj20121418 Casein kinase I isoform gamma-3 2
23398362 10.1042/bj20121418 SRSF protein kinase 3 2
23398362 10.1042/bj20121418 Serine/threonine-protein kinase MARK1 2
18077363 10.1073/pnas.0708800104 Mitogen-activated protein kinase 3 2
23398362 10.1042/bj20121418 Fibroblast growth factor receptor 4 2
23398362 10.1042/bj20121418 Ephrin type-A receptor 5 2
23398362 10.1042/bj20121418 Mitogen-activated protein kinase 10 2
23398362 10.1042/bj20121418 Fibroblast growth factor receptor 3 2

Data from ChEMBL 36 via Core Engine