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Compound Detail

CHEMBL3646235

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COC(=O)CNC(=O)c1ncc(-c2cccc(NC(=O)C3CC3)c2)cc1O

Basic Information

ChEMBL ID CHEMBL3646235
Phase Preclinical
Structure Type MOL
InChI Key NJTATWKWAORKQP-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
1.71
ALogP
6
HBA
3
HBD
117.6
PSA (Ų)
0.67
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 C19H19N3O5
MW 369.38
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.31

Activity Summary

IC50 4 meas. best 5.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 5.04 5.04 9200.0 4

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine