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Compound Detail

CHEMBL469294

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CCn1c(Sc2ccc(Nc3c(C#N)cnc4cc(OCCCN(C)C)c(OC)cc34)cc2Cl)nc(C)c1C

Basic Information

ChEMBL ID CHEMBL469294
Phase Preclinical
Structure Type MOL
InChI Key RUSLGWBGHWESBE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

565.1
MW (Da)
6.83
ALogP
9
HBA
1
HBD
88.2
PSA (Ų)
0.20
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H33ClN6O2S
MW 565.14
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.62

Activity Summary

IC50 1 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
IC50 7.52 7.52 30.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Insulin-like growth factor 1 receptor IC50 = 30.0 nM 7.52 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