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Compound Detail

CHEMBL326985

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CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

Basic Information

ChEMBL ID CHEMBL326985
Phase Preclinical
Structure Type MOL
InChI Key DMBZWRWTMPUDIV-KGLIPLIRSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
0.76
ALogP
4
HBA
4
HBD
121.5
PSA (Ų)
0.39
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 C17H25N3O4
MW 335.40
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.07

Activity Summary

IC50 2 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Low affinity immunoglobulin epsilon Fc receptor
CHEMBL2940
IC50 5.52 5.52 3000.0 1
Interstitial collagenase
CHEMBL332
IC50 5.52 5.52 3000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9871623 10.1016/s0960-894x(97)10149-4 Low affinity immunoglobulin epsilon Fc receptor 1
9871623 10.1016/s0960-894x(97)10149-4 Interstitial collagenase 1

Data from ChEMBL 36 via Core Engine