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Compound Detail

CHEMBL153054

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COC(=O)c1ccc2c(c1)ncn2-c1ccccc1

Basic Information

ChEMBL ID CHEMBL153054
Phase Preclinical
Structure Type MOL
InChI Key VATOEEFYHKVJSC-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

252.3
MW (Da)
2.81
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.66
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 C15H12N2O2
MW 252.27
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.39

Activity Summary

IC50 3 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor (PDGFr)
CHEMBL2111344
IC50 6.82 6.82 150.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 6.08 6.08 830.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 5.18 5.18 6600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9876115 10.1021/jm9804681 Platelet-derived growth factor receptor beta 1
9876115 10.1021/jm9804681 Fibroblast growth factor receptor 1 1
9876115 10.1021/jm9804681 Platelet-derived growth factor receptor (PDGFr) 1

Data from ChEMBL 36 via Core Engine