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Compound Detail

CHEMBL252020

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Cc1ccc(Oc2ccc(N(C[C@H](NC(C)C)C(=O)O)S(C)(=O)=O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL252020
Phase Preclinical
Structure Type MOL
InChI Key SKTKKGJWKRRVNC-IBGZPJMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
3.00
ALogP
5
HBA
2
HBD
95.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N2O5S
MW 406.50
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.93

Literature References

PubMed DOI Target Context # Activities
18083558 10.1016/j.bmcl.2007.11.129 72 kDa type IV collagenase 1
18083558 10.1016/j.bmcl.2007.11.129 Matrix metalloproteinase-9 1
18083558 10.1016/j.bmcl.2007.11.129 Interstitial collagenase 1

Data from ChEMBL 36 via Core Engine