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Compound Detail

CHEMBL5206183

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CC(C)(CO)NCc1ccc(S(=O)(=O)N2CCc3c(-c4ccccc4)cccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5206183
Phase Preclinical
Structure Type MOL
InChI Key HMCVOPGVAMAYRX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

436.6
MW (Da)
3.97
ALogP
4
HBA
2
HBD
69.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N2O3S
MW 436.58
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
35231577 10.1016/j.bmcl.2022.128647 Programmed cell death protein 1/Programmed cell death 1 ligand 1 1

Data from ChEMBL 36 via Core Engine