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Compound Detail

CHEMBL4211034

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OCc1cccc(-c2ccncc2)c1

Basic Information

ChEMBL ID CHEMBL4211034
Phase Preclinical
Structure Type MOL
InChI Key ZORHPGKUTIFODF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

185.2
MW (Da)
2.24
ALogP
2
HBA
1
HBD
33.1
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 C12H11NO
MW 185.23
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.24

Activity Summary

IC50 1 meas. best 2.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C iota type
CHEMBL2598
IC50 2.65 2.65 2216000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C iota type IC50 = 2216000.0 nM 2.65 Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in bacul... 29688013

Literature References

PubMed DOI Target Context # Activities
29688013 10.1021/acs.jmedchem.8b00060 Protein kinase C iota type 1

Data from ChEMBL 36 via Core Engine