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Compound Detail

CHEMBL3676426

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Cc1onc(-c2ccc(Cl)cn2)c1COc1ccc(C(=O)NC2CC2)cn1

Basic Information

ChEMBL ID CHEMBL3676426
Phase Preclinical
Structure Type MOL
InChI Key ARBLJOFSCMJCAL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

384.8
MW (Da)
3.56
ALogP
6
HBA
1
HBD
90.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17ClN4O3
MW 384.82
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.06

Activity Summary

Ki 1 meas. best 9.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gamma-aminobutyric acid receptor subunit alpha-5
CHEMBL5112
Ki 9.52 9.52 0.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine