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Compound Detail

CHEMBL468269

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COc1cc2ncc(C#N)c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c2cc1OC

Basic Information

ChEMBL ID CHEMBL468269
Phase Preclinical
Structure Type MOL
InChI Key ZPEPSYOVJOCFBL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

451.9
MW (Da)
5.41
ALogP
8
HBA
1
HBD
85.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18ClN5O2S
MW 451.94
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.68

Activity Summary

IC50 1 meas. best 6.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
IC50 6.07 6.07 847.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Insulin-like growth factor 1 receptor IC50 = 847.0 nM 6.07 Inhibition of GST-IGF1R 19041240

Literature References

PubMed DOI Target Context # Activities
19041240 10.1016/j.bmcl.2008.11.037 Insulin-like growth factor 1 receptor 1

Data from ChEMBL 36 via Core Engine