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Compound Detail

CHEMBL330748

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N#Cc1ccc(-c2ccc(-c3cccs3)s2)s1

Basic Information

ChEMBL ID CHEMBL330748
Phase Preclinical
Structure Type MOL
InChI Key YXNZJCUXYIKKRE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

273.4
MW (Da)
5.08
ALogP
4
HBA
0
HBD
23.8
PSA (Ų)
0.64
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H7NS3
MW 273.41
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -0.76

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 2000.0 nM 5.7 Inhibition of protein kinase C(1:1mixture of PKC alpha & beta) expressed in Sf9 ... 9873605

Literature References

PubMed DOI Target Context # Activities
9873605 10.1016/s0960-894x(98)00468-5 Unchecked 1

Data from ChEMBL 36 via Core Engine