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Compound Detail

CHEMBL5985183

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O=C1Nc2ccccc2[C@]12CC2c1ccc2cn[nH]c2c1

Basic Information

ChEMBL ID CHEMBL5985183
Phase Preclinical
Structure Type MOL
InChI Key RJUIETDWZAGQNR-RUINGEJQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

275.3
MW (Da)
2.94
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13N3O
MW 275.31
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.04

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase PLK4
CHEMBL3788
IC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine