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Compound Detail

CHEMBL5574138

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COc1cc2c(cc1OC)C(C)N(C(=O)c1cc3c(s1)-c1ccccc1S(=O)(=O)C3)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5574138
Phase Preclinical
Structure Type MOL
InChI Key RSQYBMWYQIQBLX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

469.6
MW (Da)
4.48
ALogP
6
HBA
0
HBD
72.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23NO5S2
MW 469.58
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
38265364 10.1021/acs.jmedchem.3c01850 Cocaine esterase 4
38265364 10.1021/acs.jmedchem.3c01850 Caspase-8 1
38265364 10.1021/acs.jmedchem.3c01850 Acetylcholinesterase 1
38265364 10.1021/acs.jmedchem.3c01850 PANC-1 1

Data from ChEMBL 36 via Core Engine