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Compound Detail

CHEMBL260938

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COc1cc(Nc2c(C#N)cnc3cc(N(C)CCCN(C)C)c(OC)cc23)c(Cl)cc1Cl

Basic Information

ChEMBL ID CHEMBL260938
Phase Preclinical
Structure Type MOL
InChI Key HLCLFBVVKAGCCS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

488.4
MW (Da)
5.56
ALogP
7
HBA
1
HBD
73.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27Cl2N5O2
MW 488.42
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.35

Activity Summary

IC50 1 meas. best 5.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.57 5.57 2700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 2700.0 nM 5.57 Inhibition of human cSrc-vSrc fusion protein expressed in rat fibroblast cells b... 17905586

Literature References

PubMed DOI Target Context # Activities
17905586 10.1016/j.bmc.2007.09.028 Unchecked 1

Data from ChEMBL 36 via Core Engine