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Compound Detail

CHEMBL5285743

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O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(N3C(=O)Cc4ccccc43)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5285743
Phase Preclinical
Structure Type MOL
InChI Key RXJWJZIFRBIVDK-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

457.5
MW (Da)
1.24
ALogP
5
HBA
2
HBD
124.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N3O6S
MW 457.51
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.19

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
34648286 10.1021/acs.jmedchem.1c00889 Unchecked 1

Data from ChEMBL 36 via Core Engine