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Compound Detail

CHEMBL326422

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NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1sc2ccccc2c1Cl)[C@H](O)C(=O)NO

Basic Information

ChEMBL ID CHEMBL326422
Phase Preclinical
Structure Type MOL
InChI Key CDYLWJRGXDOWKJ-VCBZYWHSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

475.9
MW (Da)
1.79
ALogP
6
HBA
5
HBD
141.8
PSA (Ų)
0.24
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 C22H22ClN3O5S
MW 475.95
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
10560745 10.1016/s0960-894x(99)00552-1 Low affinity immunoglobulin epsilon Fc receptor 1
10560745 10.1016/s0960-894x(99)00552-1 Interstitial collagenase 1

Data from ChEMBL 36 via Core Engine