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Compound Detail

CHEMBL5187878

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Cc1c(C(=O)N2CCc3c(sc(NC(=O)c4cnn(C)c4)c3C#N)C2)oc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5187878
Phase Preclinical
Structure Type MOL
InChI Key WRNZYEASJHMLHL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
3.86
ALogP
7
HBA
1
HBD
104.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19N5O3S
MW 445.50
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -2.43

Activity Summary

IC50 1 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
143B
CHEMBL614508
 IC50 6.68 6.68 210.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
143B IC50 = 210.0 nM 6.68 Antiproliferative activity against human 143B cells assessed as inhibition of ce... 35476936

Literature References

PubMed DOI Target Context # Activities
35476936 10.1021/acs.jmedchem.2c00004 143B 1

Data from ChEMBL 36 via Core Engine