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Compound Detail

CHEMBL6012453

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CC(C)(NC(=O)[C@H]1[C@@H]2CNC[C@@H]21)c1nc2ccc(Cl)cc2[nH]1

Basic Information

ChEMBL ID CHEMBL6012453
Phase Preclinical
Structure Type MOL
InChI Key JMLKTWMDMDGNQX-IWIIMEHWSA-N
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

318.8
MW (Da)
2.03
ALogP
3
HBA
3
HBD
69.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19ClN4O
MW 318.81
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.80

Activity Summary

Ki 3 meas. best 6.97
EC50 2 meas. best 8.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 8.09 8.09 8.1 2
Somatostatin receptor type 4
CHEMBL1853
Ki 6.97 6.97 106.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine