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Compound Detail

CHEMBL1762169

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CC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(Nc2ccccc2)c1

Basic Information

ChEMBL ID CHEMBL1762169
Phase Preclinical
Structure Type MOL
InChI Key HBNCPNRSSLWJKK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

486.5
MW (Da)
6.18
ALogP
5
HBA
1
HBD
65.5
PSA (Ų)
0.33
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 C24H21F3N4O2S
MW 486.52
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.18

Activity Summary

IC50 1 meas. best 5.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
IC50 5.97 5.97 1061.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21441024 10.1016/j.bmcl.2011.03.003 Insulin-like growth factor 1 receptor 1
21441024 10.1016/j.bmcl.2011.03.003 No relevant target 1

Data from ChEMBL 36 via Core Engine