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Compound Detail

CHEMBL5982226

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CC(C)(COc1ccccc1Cl)C(=O)NC1CCNCC1

Basic Information

ChEMBL ID CHEMBL5982226
Phase Preclinical
Structure Type MOL
InChI Key REXPEIYMKARVRQ-UHFFFAOYSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

310.8
MW (Da)
2.61
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H23ClN2O2
MW 310.83
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.94

Activity Summary

IC50 2 meas. best 7.6
EC50 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 8.7 8.7 2.0 1
Somatostatin receptor type 4
CHEMBL1853
IC50 7.6 7.6 25.1 1
Somatostatin receptor type 1
CHEMBL1917
IC50 4.6 4.6 25119.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine