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Compound Detail

CHEMBL1492504

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CCOC(=O)c1c(C)nc2sc3c(=O)n(-c4ccc(OC)cc4)nnc3c2c1-c1ccc(OC)cc1

Basic Information

ChEMBL ID CHEMBL1492504
Phase Preclinical
Structure Type MOL
InChI Key LNVREEXYXVGXSQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

502.6
MW (Da)
4.56
ALogP
10
HBA
0
HBD
105.4
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H22N4O5S
MW 502.55
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -1.33

Activity Summary

IC50 1 meas. best 4.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Signal transducer and activator of transcription 1-alpha/beta
CHEMBL6101
IC50 4.58 4.58 26580.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine