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Compound Detail

CHEMBL4081349

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CC#CCOc1ccc(S(=O)(=O)[C@@H]2C[C@H](C(=O)NO)N(C(C)=O)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4081349
Phase Preclinical
Structure Type MOL
InChI Key YLKPSGUOQSEIGJ-HZPDHXFCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
0.36
ALogP
6
HBA
2
HBD
113.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N2O6S
MW 380.42
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.64

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