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Compound Detail

CHEMBL252830

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N#Cc1ccccc1C1CCN(S(=O)(=O)CC2(C(=O)NO)CCN(C(=O)O[C@H]3CCOC3)CC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL252830
Phase Preclinical
Structure Type MOL
InChI Key KNJSKLCAFSSXEZ-FQEVSTJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

520.6
MW (Da)
1.58
ALogP
8
HBA
2
HBD
149.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H32N4O7S
MW 520.61
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
18068976 10.1016/j.bmcl.2007.11.086 Disintegrin and metalloproteinase domain-containing protein 10 2
18068976 10.1016/j.bmcl.2007.11.086 72 kDa type IV collagenase 1

Data from ChEMBL 36 via Core Engine