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Compound Detail

CHEMBL445893

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CCc1cc(CC)cc(-c2cc3cnc(N)nc3nc2NC(=O)NC(C)(C)C)c1

Basic Information

ChEMBL ID CHEMBL445893
Phase Preclinical
Structure Type MOL
InChI Key JLZJVFRHDHKOBW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
4.32
ALogP
5
HBA
3
HBD
105.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N6O
MW 392.51
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.62

Activity Summary

IC50 1 meas. best 5.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 5.11 5.11 7760.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 1 IC50 = 7760.0 nM 5.11 Inhibition of the fibroblast growth factor receptor (FGFR1) -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00445-9 Platelet-derived growth factor receptor 1
- 10.1016/S0960-894X(97)00445-9 Fibroblast growth factor receptor 1 1
- 10.1016/S0960-894X(97)00445-9 Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine