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Compound Detail

CHEMBL5801275

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CC[C@H]1CN(C)CC[C@@H]1NC(=O)C(C)(C)COc1ncc(C)cc1C

Basic Information

ChEMBL ID CHEMBL5801275
Phase Preclinical
Structure Type MOL
InChI Key GKPDKJOKRSDKTJ-IRXDYDNUSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

347.5
MW (Da)
2.95
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 C20H33N3O2
MW 347.50
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.50

Activity Summary

IC50 2 meas. best 7.2
EC50 1 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 7.8 7.8 15.8 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