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Compound Detail

CHEMBL99179

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CS(=O)(=O)Nc1ccc(C(=O)NC2CCCCC2NCC(O)COc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL99179
Phase Preclinical
Structure Type MOL
InChI Key JSKILVOQWJCNKB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

461.6
MW (Da)
2.13
ALogP
6
HBA
4
HBD
116.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H31N3O5S
MW 461.58
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.92

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
1976812 10.1021/jm00172a033 Canis familiaris 5
1976812 10.1021/jm00172a033 Adrenergic receptor beta 1
1976812 10.1021/jm00172a033 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine