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Compound Detail

CHEMBL370371

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COc1cc(Nc2c(C#N)cnc3cc(-c4ccc(CN5CCNCC5)o4)sc23)c(Cl)cc1Cl

Basic Information

ChEMBL ID CHEMBL370371
Phase Preclinical
Structure Type MOL
InChI Key NRANMEFBUPPCCB-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

514.4
MW (Da)
5.89
ALogP
8
HBA
2
HBD
86.3
PSA (Ų)
0.33
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21Cl2N5O2S
MW 514.44
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.61

Activity Summary

IC50 2 meas. best 7.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 7.28 6.395 52.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16125383 10.1016/j.bmcl.2005.07.061 Proto-oncogene tyrosine-protein kinase Src 2

Data from ChEMBL 36 via Core Engine