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Compound Detail

CHEMBL4097872

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CC(=O)N1C[C@@H](S(=O)(=O)c2ccc(OCc3cc(C)nc4c3CCCC4)cc2)C[C@@H]1C(=O)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4097872
Phase Preclinical
Structure Type MOL
InChI Key BRQTUHSEKFOXBN-NZQKXSOJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

487.6
MW (Da)
2.12
ALogP
7
HBA
2
HBD
125.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29N3O6S
MW 487.58
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
28274635 10.1016/j.bmcl.2017.02.035 Disintegrin and metalloproteinase domain-containing protein 17 1

Data from ChEMBL 36 via Core Engine