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Compound Detail

CHEMBL5574461

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C#CCN(Cc1ccc(S(=O)(=O)NC)cc1)c1ccc(-c2nc3ccccc3s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5574461
Phase Preclinical
Structure Type MOL
InChI Key UOCYRQIANDLAIK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

447.6
MW (Da)
4.51
ALogP
5
HBA
1
HBD
62.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21N3O2S2
MW 447.59
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -2.07

Literature References

PubMed DOI Target Context # Activities
38265413 10.1021/acs.jmedchem.3c01608 ASPC1 1

Data from ChEMBL 36 via Core Engine