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Compound Detail

CHEMBL5894549

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CN1CCC(NC(=O)C(C)(C)COc2ccccc2Br)CC1

Basic Information

ChEMBL ID CHEMBL5894549
Phase Preclinical
Structure Type MOL
InChI Key WZUJBISCPKJJGN-UHFFFAOYSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

369.3
MW (Da)
3.06
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H25BrN2O2
MW 369.30
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.96

Activity Summary

IC50 2 meas. best 7.4
EC50 1 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 8.1 8.1 7.9 1
Somatostatin receptor type 4
CHEMBL1853
IC50 7.4 7.4 39.8 1
Somatostatin receptor type 1
CHEMBL1917
IC50 5.1 5.1 7943.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine