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Compound Detail

CHEMBL5771253

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Cc1ccc(-c2noc(C)c2COc2ccc(C(=O)NC3CCOCC3)cn2)nn1

Basic Information

ChEMBL ID CHEMBL5771253
Phase Preclinical
Structure Type MOL
InChI Key PWTUVRWHZWTHMS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

409.4
MW (Da)
2.63
ALogP
8
HBA
1
HBD
112.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N5O4
MW 409.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.79

Activity Summary

Ki 1 meas. best 9.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gamma-aminobutyric acid receptor subunit alpha-1
CHEMBL1962
Ki 9.4 9.4 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine