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Compound Detail

CHEMBL278630

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O=C(Nc1ccc(Cl)c(Nc2nccc(-c3cccnc3)n2)c1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL278630
Phase Preclinical
Structure Type MOL
InChI Key CNXDNYDEXTTZHT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

401.9
MW (Da)
5.19
ALogP
5
HBA
2
HBD
79.8
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16ClN5O
MW 401.86
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.84

Activity Summary

IC50 1 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor
CHEMBL2095189
IC50 6.82 6.82 150.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor IC50 = 150.0 nM 6.82 Inhibition of tyrosine kinase(PDGF-R) -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00197-7 Platelet-derived growth factor receptor 1
- 10.1016/0960-894X(96)00197-7 Epidermal growth factor receptor 1
- 10.1016/0960-894X(96)00197-7 Proto-oncogene tyrosine-protein kinase Src 1
- 10.1016/0960-894X(96)00197-7 Protein kinase C alpha type 1
- 10.1016/0960-894X(96)00197-7 Protein kinase C delta type 1
- 10.1016/0960-894X(96)00197-7 cAMP-dependent protein kinase (PKA) 1

Data from ChEMBL 36 via Core Engine