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Compound Detail

CHEMBL6052010

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CN1CC[C@H](NC(=O)C(C)(C)COc2ccccc2Cl)[C@@H](F)C1

Basic Information

ChEMBL ID CHEMBL6052010
Phase Preclinical
Structure Type MOL
InChI Key PCNLNFGUOMXVPG-KBPBESRZSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

342.8
MW (Da)
2.90
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H24ClFN2O2
MW 342.84
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.95

Activity Summary

IC50 2 meas. best 7.6
EC50 1 meas. best 8.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 8.2 8.2 6.3 1
Somatostatin receptor type 4
CHEMBL1853
IC50 7.6 7.6 25.1 1
Somatostatin receptor type 1
CHEMBL1917
IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine