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Compound Detail

CHEMBL5818753

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C[C@@H]1CN(C)CC[C@H]1NC(=O)C(C)(C)COc1ncccc1C1CC1

Basic Information

ChEMBL ID CHEMBL5818753
Phase Preclinical
Structure Type MOL
InChI Key CJPRQDWIYBVIQP-RHSMWYFYSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

345.5
MW (Da)
2.82
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H31N3O2
MW 345.49
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.61

Activity Summary

IC50 2 meas. best 7.2
EC50 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 8.3 8.3 5.0 1
Somatostatin receptor type 4
CHEMBL1853
IC50 7.2 7.2 63.1 1
Somatostatin receptor type 1
CHEMBL1917
IC50 5.5 5.5 3162.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine