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Compound Detail

CHEMBL135267

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CCNC(=O)Nc1nc2cc(N)ncc2cc1-c1ccccc1

Basic Information

ChEMBL ID CHEMBL135267
Phase Preclinical
Structure Type MOL
InChI Key GJXAKRCIKXUHFB-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
3.02
ALogP
4
HBA
3
HBD
92.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N5O
MW 307.36
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.89

Activity Summary

IC50 3 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 5.89 5.89 1300.0 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 5.29 5.29 5100.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 5.11 5.11 7700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11063616 10.1021/jm000161d Fibroblast growth factor receptor 1 1
11063616 10.1021/jm000161d Platelet-derived growth factor receptor beta 1
11063616 10.1021/jm000161d Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine