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Compound Detail

CHEMBL5987384

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Cc1nn(C)cc1[C@@H]1CN(C)C[C@H]1NC(=O)C(C)(C)COc1ncccc1C1CC1

Basic Information

ChEMBL ID CHEMBL5987384
Phase Preclinical
Structure Type MOL
InChI Key XKSUGUCDWYBSAZ-VQTJNVASSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

411.6
MW (Da)
2.62
ALogP
6
HBA
1
HBD
72.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H33N5O2
MW 411.55
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.81

Activity Summary

IC50 2 meas. best 7.0
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 7.0 7.0 100.0 1
Somatostatin receptor type 1
CHEMBL1917
IC50 6.4 6.4 398.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine