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Compound Detail

CHEMBL5850589

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O=C1Nc2ccc(F)cc2[C@]12C[C@H]2c1ccc2c(I)n[nH]c2c1

Basic Information

ChEMBL ID CHEMBL5850589
Phase Preclinical
Structure Type MOL
InChI Key UKGMAACIEPMUPX-SJCJKPOMSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.2
MW (Da)
3.68
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H11FIN3O
MW 419.20
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.13

Activity Summary

IC50 2 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aurora kinase B
CHEMBL2185
IC50 6.26 6.26 550.0 1
Serine/threonine-protein kinase PLK4
CHEMBL3788
IC50 6.26 6.26 550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine