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Compound Detail

CHEMBL362100

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Cc1cc(COc2ccc(S(=O)(=O)CC3C(C(=O)NO)CCCN3C)cc2)c2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL362100
Phase Preclinical
Structure Type MOL
InChI Key HTTGXWWZNURROV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

483.6
MW (Da)
3.11
ALogP
7
HBA
2
HBD
108.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29N3O5S
MW 483.59
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
15357971 10.1016/j.bmcl.2004.06.049 Disintegrin and metalloproteinase domain-containing protein 17 2
15357971 10.1016/j.bmcl.2004.06.049 Interstitial collagenase 1
15357971 10.1016/j.bmcl.2004.06.049 72 kDa type IV collagenase 1
15357971 10.1016/j.bmcl.2004.06.049 Matrix metalloproteinase-9 1
15357971 10.1016/j.bmcl.2004.06.049 Collagenase 3 1

Data from ChEMBL 36 via Core Engine