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Compound Detail

CHEMBL6023600

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C=CCC1CC(=O)c2c([nH]c(-c3ccncc3)c2Nc2ccccc2)C1

Basic Information

ChEMBL ID CHEMBL6023600
Phase Preclinical
Structure Type MOL
InChI Key YMXIGQBXFMEYFJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
5.14
ALogP
3
HBA
2
HBD
57.8
PSA (Ų)
0.63
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N3O
MW 343.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.17

Activity Summary

IC50 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitotic checkpoint serine/threonine-protein kinase BUB1
CHEMBL1772932
IC50 8.52 8.52 3.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine