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Compound Detail

CHEMBL5939445

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Cc1cccnc1OCC(C)(C)C(=O)N[C@@H]1CN(C)C[C@H]1c1cnn(C)c1

Basic Information

ChEMBL ID CHEMBL5939445
Phase Preclinical
Structure Type MOL
InChI Key QAIDROSEGBNSSB-DLBZAZTESA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

371.5
MW (Da)
1.74
ALogP
6
HBA
1
HBD
72.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H29N5O2
MW 371.49
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.19

Activity Summary

IC50 2 meas. best 6.0
EC50 1 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 7.1 7.1 79.4 1
Somatostatin receptor type 4
CHEMBL1853
IC50 6.0 6.0 1000.0 1
Somatostatin receptor type 1
CHEMBL1917
IC50 5.1 5.1 7943.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine