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Compound Detail

CHEMBL149401

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O=C(O)c1ccc2ncn(-c3ccccc3)c2c1

Basic Information

ChEMBL ID CHEMBL149401
Phase Preclinical
Structure Type MOL
InChI Key FGUWJWYUTCLUGU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

238.2
MW (Da)
2.72
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.75
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 C14H10N2O2
MW 238.25
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.21

Activity Summary

IC50 2 meas. best 4.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 4.3 4.3 50000.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 4.3 4.3 50000.0 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

Data from ChEMBL 36 via Core Engine