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Compound Detail

CHEMBL5288864

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Cc1cc(S(=O)(=O)N2CCC(c3ccccc3)CC2)ccc1C(=O)NCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5288864
Phase Preclinical
Structure Type MOL
InChI Key PXXKRRNFWVFNOB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
2.38
ALogP
4
HBA
2
HBD
103.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N2O5S
MW 416.50
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.42

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
34648286 10.1021/acs.jmedchem.1c00889 Ubiquitin carboxyl-terminal hydrolase 5 1
34648286 10.1021/acs.jmedchem.1c00889 Histone deacetylase 6 1

Data from ChEMBL 36 via Core Engine