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Compound Detail

CHEMBL3319274

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COc1ccc2nc(NC(=O)NC(=O)c3c(Cl)cccc3Cl)sc2c1

Basic Information

ChEMBL ID CHEMBL3319274
Phase Preclinical
Structure Type MOL
InChI Key WLRKTRCNYFLXJK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

396.3
MW (Da)
4.57
ALogP
5
HBA
2
HBD
80.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11Cl2N3O3S
MW 396.26
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -2.17

Activity Summary

IC50 1 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Growth hormone secretagogue receptor type 1
CHEMBL4616
IC50 6.68 6.68 210.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24967667 10.1021/jm500610n No relevant target 2
24967667 10.1021/jm500610n Growth hormone secretagogue receptor type 1 1

Data from ChEMBL 36 via Core Engine