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Compound Detail

CHEMBL5933567

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COc1cc(N2CCNCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(N)(=O)=O)n1

Basic Information

ChEMBL ID CHEMBL5933567
Phase Preclinical
Structure Type MOL
InChI Key VOZRIRJNGNHIST-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

505.0
MW (Da)
2.65
ALogP
9
HBA
5
HBD
146.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25ClN8O3S
MW 505.00
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.51

Activity Summary

IC50 4 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 8.4 7.6925 4.0 4

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine