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Compound Detail

CHEMBL390943

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COc1cc(Nc2c(C#N)cnc3cc(-c4ccccc4N4CCN(C)CC4)sc23)c(Cl)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL390943
Phase Preclinical
Structure Type MOL
InChI Key YADNNYTWVYDBNX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

524.5
MW (Da)
6.65
ALogP
7
HBA
1
HBD
64.4
PSA (Ų)
0.32
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23Cl2N5OS
MW 524.48
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.49

Literature References

PubMed DOI Target Context # Activities
15615514 10.1021/jm049237m Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine