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Compound Detail

CHEMBL50977

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Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL50977
Phase Preclinical
Structure Type MOL
InChI Key RLOPQMSTUDIOLX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

306.1
MW (Da)
3.30
ALogP
4
HBA
0
HBD
47.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H9Cl2N3O
MW 306.15
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
17964795 10.1016/j.bmc.2007.10.024 Unchecked 2
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