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Compound Detail

CHEMBL1766898

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Cc1cc(S(=O)(=O)N[C@@]2(C(=O)O)[C@H](C)[C@@H]2c2ccccc2)sc1-n1cc(Cl)cn1

Basic Information

ChEMBL ID CHEMBL1766898
Phase Preclinical
Structure Type MOL
InChI Key KXRILFPUNAVTKU-FXHACXQTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

452.0
MW (Da)
3.43
ALogP
6
HBA
2
HBD
101.3
PSA (Ų)
0.60
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 C19H18ClN3O4S2
MW 451.96
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
21417219 10.1021/jm101609j A disintegrin and metalloproteinase with thrombospondin motifs 5 1
21417219 10.1021/jm101609j Matrix metalloproteinase-14 1
21417219 10.1021/jm101609j Interstitial collagenase 1
21417219 10.1021/jm101609j Disintegrin and metalloproteinase domain-containing protein 17 1

Data from ChEMBL 36 via Core Engine