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Compound Detail

CHEMBL5073108

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CC(C)(C)c1ccc(N(C(=O)CCl)C(C(=O)NC2CCCCC2)c2ccsc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5073108
Phase Preclinical
Structure Type MOL
InChI Key VCELOPXWLFJNJA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

447.0
MW (Da)
5.81
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.57
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31ClN2O2S
MW 447.04
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.75

Literature References

PubMed DOI Target Context # Activities
34995923 10.1016/j.ejmech.2021.114046 Unchecked 2

Data from ChEMBL 36 via Core Engine