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Compound Detail

CHEMBL2393432

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COc1ccc(-c2csc(N)c2C(=O)OCc2ccccc2F)cc1OC

Basic Information

ChEMBL ID CHEMBL2393432
Phase Preclinical
Structure Type MOL
InChI Key RHHMMDZTAHYGJS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
4.51
ALogP
6
HBA
1
HBD
70.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18FNO4S
MW 387.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.03

Activity Summary

IC50 1 meas. best 5.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C zeta type
CHEMBL3438
IC50 5.16 5.16 7000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C zeta type IC50 = 7000.0 nM 5.16 Luminescence-Based Kinase Assay: IC50 values were determined using an in vitro l... -

Literature References

PubMed DOI Target Context # Activities
23566515 10.1016/j.bmcl.2013.03.019 Protein kinase C zeta type 1

Data from ChEMBL 36 via Core Engine