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Compound Detail

CHEMBL4743938

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Cc1ccc([C@H](C)NC(=O)C(C)n2nc3ccccn3c2=O)cc1

Basic Information

ChEMBL ID CHEMBL4743938
Phase Preclinical
Structure Type MOL
InChI Key UPSSIQXMIAXYPI-LSLKUGRBSA-N
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
2.24
ALogP
5
HBA
1
HBD
68.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N4O2
MW 324.38
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.91

Activity Summary

EC50 5 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 3
Probable G-protein coupled receptor 139
CHEMBL4888453
EC50 9.0 9.0 1.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine