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Compound Detail

CHEMBL3274344

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CCCc1ccc(O)c(C(C)=O)c1O

Basic Information

ChEMBL ID CHEMBL3274344
Phase Preclinical
Structure Type MOL
InChI Key NMAPMZGVYBPUKX-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

194.2
MW (Da)
2.25
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H14O3
MW 194.23
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 1.05

Activity Summary

IC50 3 meas. best 2.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C iota type
CHEMBL2598
IC50 2.81 2.81 1556000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C iota type IC50 = 1556000.0 nM 2.81 Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in bacul... 29688013

Literature References

PubMed DOI Target Context # Activities
926120 10.1021/jm00219a017 Unchecked 2
926120 10.1021/jm00219a017 Rattus norvegicus 2
29688013 10.1021/acs.jmedchem.8b00060 Protein kinase C iota type 1

Data from ChEMBL 36 via Core Engine