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Compound Detail

CHEMBL3702546

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CC(C)OC(=O)c1c(-c2ccc3c(c2)OCO3)csc1N

Basic Information

ChEMBL ID CHEMBL3702546
Phase Preclinical
Structure Type MOL
InChI Key JFYGZNMEZXPYFF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

305.4
MW (Da)
3.29
ALogP
6
HBA
1
HBD
70.8
PSA (Ų)
0.88
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 C15H15NO4S
MW 305.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.69

Activity Summary

IC50 1 meas. best 4.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C zeta type
CHEMBL3438
IC50 4.68 4.68 21000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C zeta type IC50 = 21000.0 nM 4.68 Luminescence-Based Kinase Assay: IC50 values were determined using an in vitro l... -

Data from ChEMBL 36 via Core Engine