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Compound Detail

CHEMBL6055274

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Cc1c([C@@H]2CN(C)C[C@H]2NC(=O)C(C)(C)COc2ncccc2C2CC2)cnn1C

Basic Information

ChEMBL ID CHEMBL6055274
Phase Preclinical
Structure Type MOL
InChI Key HZAXBOZZKOQECK-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 -0.84

Activity Summary

IC50 2 meas. best 7.6
EC50 1 meas. best 8.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 8.9 8.9 1.3 1
Somatostatin receptor type 4
CHEMBL1853
IC50 7.6 7.6 25.1 1
Somatostatin receptor type 1
CHEMBL1917
IC50 6.9 6.9 126.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine