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Compound Detail

CHEMBL365832

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CCn1c(-c2nonc2N)nc2cncc(Br)c21

Basic Information

ChEMBL ID CHEMBL365832
Phase Preclinical
Structure Type MOL
InChI Key FNMHGQSBPQSGMV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

309.1
MW (Da)
1.85
ALogP
7
HBA
1
HBD
95.7
PSA (Ų)
0.78
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 C10H9BrN6O
MW 309.13
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.45

Activity Summary

IC50 1 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ribosomal protein S6 kinase alpha-5
CHEMBL4237
IC50 8.05 8.05 9.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ribosomal protein S6 kinase alpha-5 IC50 = 9.0 nM 8.05 Inhibitory concentration against MSK-1 15955699

Literature References

PubMed DOI Target Context # Activities
15955699 10.1016/j.bmcl.2005.05.020 Unchecked 2
15955699 10.1016/j.bmcl.2005.05.020 Ribosomal protein S6 kinase alpha-5 1
- 10.6019/CHEMBL3988181 Unchecked 1

Data from ChEMBL 36 via Core Engine