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Compound Detail

CHEMBL5821936

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Cc1cccnc1C(C)(C)NC(=O)[C@H]1[C@@H]2CNC[C@@H]21

Basic Information

ChEMBL ID CHEMBL5821936
Phase Preclinical
Structure Type MOL
InChI Key CWFAIJHPQFQRHL-GDNZZTSVSA-N
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

259.4
MW (Da)
1.21
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21N3O
MW 259.35
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.52

Activity Summary

Ki 3 meas. best 6.94
EC50 2 meas. best 7.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 7.83 7.83 14.8 2
Somatostatin receptor type 4
CHEMBL1853
Ki 6.94 6.94 114.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine