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Compound Detail

CHEMBL4790949

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COc1cccc2nn(CC(=O)N[C@@H](C)c3ccc(Cl)cc3)c(=O)n12

Basic Information

ChEMBL ID CHEMBL4790949
Phase Preclinical
Structure Type MOL
InChI Key ARQGCXDJOBWYMU-NSHDSACASA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

360.8
MW (Da)
2.04
ALogP
6
HBA
1
HBD
77.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17ClN4O3
MW 360.80
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.95

Activity Summary

EC50 2 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Probable G-protein coupled receptor 139
CHEMBL3632455
EC50 9.0 9.0 1.0 1
Probable G-protein coupled receptor 139
CHEMBL4888453
EC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine