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Compound Detail

CHEMBL470937

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O=C1N=C(NCCO)N/C1=C1/CCNC(=O)c2[nH]c3c(Br)csc3c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL470937
Phase Preclinical
Structure Type MOL
InChI Key GOEXYFKCXAPQHR-TWGQIWQCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.3
MW (Da)
0.90
ALogP
6
HBA
5
HBD
118.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14BrN5O3S
MW 424.28
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.35

Activity Summary

IC50 1 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase Chk1
CHEMBL4630
 IC50 6.55 6.55 280.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase Chk1 IC50 = 280.0 nM 6.55 Inhibition of CHK1 19111462

Literature References

PubMed DOI Target Context # Activities
19111462 10.1016/j.bmcl.2008.12.001 Serine/threonine-protein kinase Chk1 1

Data from ChEMBL 36 via Core Engine