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Compound Detail

CHEMBL467232

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COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(C#N)cnc2cc1N1CCN(C)CC1

Basic Information

ChEMBL ID CHEMBL467232
Phase Preclinical
Structure Type MOL
InChI Key IDZGVCCTBGKTHH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

520.1
MW (Da)
5.15
ALogP
9
HBA
1
HBD
82.2
PSA (Ų)
0.37
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 C26H26ClN7OS
MW 520.06
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.82

Activity Summary

IC50 1 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
IC50 6.22 6.22 600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Insulin-like growth factor 1 receptor IC50 = 600.0 nM 6.22 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