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Compound Detail

CHEMBL450802

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O=C(O)c1ccc(N2C(=O)CSC2=S)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL450802
Phase Preclinical
Structure Type MOL
InChI Key GYORTKHHBDTZHY-UHFFFAOYSA-N
0
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
1.75
ALogP
4
HBA
1
HBD
57.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H7NO3S2
MW 253.30
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.24

Activity Summary

IC50 2 meas.
EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19053778 10.1021/jm800869t Unchecked 2
19053778 10.1021/jm800869t Human immunodeficiency virus 1 1
19053778 10.1021/jm800869t MT2 1
39167391 10.1021/acs.jmedchem.4c00909 BMDM 1
39167391 10.1021/acs.jmedchem.4c00909 C3H 10T1/2 1

Data from ChEMBL 36 via Core Engine