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Compound Detail

CHEMBL49658

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CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

Basic Information

ChEMBL ID CHEMBL49658
Phase Preclinical
Structure Type MOL
InChI Key YRATUKRSRQKZSM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

472.4
MW (Da)
5.23
ALogP
5
HBA
3
HBD
105.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18F6N6O
MW 472.39
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
17964795 10.1016/j.bmc.2007.10.024 Unchecked 2
- 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
9599227 10.1021/jm970634p Platelet-derived growth factor receptor 1
9599227 10.1021/jm970634p Fibroblast growth factor receptor 1
9599227 10.1021/jm970634p Proto-oncogene tyrosine-protein kinase Src 1
9599227 10.1021/jm970634p Epidermal growth factor receptor 1
17964795 10.1016/j.bmc.2007.10.024 Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine