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Compound Detail

CHEMBL1354131

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COc1ccc2c(c1)sc(N)[n+]2Cc1cc(C)cc2cccnc12

Basic Information

ChEMBL ID CHEMBL1354131
Phase Preclinical
Structure Type MOL
InChI Key FCRKPIWFGQQAFO-UHFFFAOYSA-O
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
3.68
ALogP
4
HBA
1
HBD
52.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N3OS+
MW 336.44
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.94

Activity Summary

EC50 6 meas. best 6.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 6.15 5.4467 711.0 6

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine