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Compound Detail

CHEMBL1946273

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C[C@@H](CO)NC1=NS(=O)(=O)c2ccc(Cl)cc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1946273
Phase Preclinical
Structure Type MOL
InChI Key LADMUQPGTUHSKY-LURJTMIESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

289.7
MW (Da)
0.78
ALogP
5
HBA
3
HBD
90.8
PSA (Ų)
0.75
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 C10H12ClN3O3S
MW 289.74
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
22077416 10.1021/jm200786z ATP-binding cassette sub-family C member 8 4
22077416 10.1021/jm200786z Molecular identity unknown 1
22077416 10.1021/jm200786z Unchecked 1

Data from ChEMBL 36 via Core Engine