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Compound Detail

CHEMBL6042080

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CC(C)(NC(=O)[C@H]1[C@@H]2CNC[C@@H]21)c1n[nH]c2ccccc12

Basic Information

ChEMBL ID CHEMBL6042080
Phase Preclinical
Structure Type MOL
InChI Key GSXIQYDLFFUXCQ-PJXYFTJBSA-N
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

284.4
MW (Da)
1.38
ALogP
3
HBA
3
HBD
69.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N4O
MW 284.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.62

Activity Summary

Ki 3 meas. best 7.8
EC50 2 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 8.8 8.8 1.6 2
Somatostatin receptor type 4
CHEMBL1853
Ki 7.8 7.8 15.9 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine