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Compound Detail

CHEMBL1480783

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CCOC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1

Basic Information

ChEMBL ID CHEMBL1480783
Phase Preclinical
Structure Type MOL
InChI Key FSCYEJFPESOKBU-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

303.3
MW (Da)
2.87
ALogP
6
HBA
1
HBD
81.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13N3O3S
MW 303.34
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.56

Activity Summary

IC50 2 meas. best 6.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.23 5.65 590.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine