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Compound Detail

CHEMBL96445

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CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C/C(=O)O)CCC(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL96445
Phase Preclinical
Structure Type MOL
InChI Key MYSDCGWKRZHEIC-KJGYNSNGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

566.7
MW (Da)
2.45
ALogP
6
HBA
5
HBD
176.9
PSA (Ų)
0.19
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H38N4O7
MW 566.66
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness 0.17

Literature References

PubMed DOI Target Context # Activities
9667970 10.1021/jm980068d HeLa 2
9667970 10.1021/jm980068d Human rhinovirus A protease 1
27996267 10.1021/acs.jmedchem.6b00788 Unchecked 1
27996267 10.1021/acs.jmedchem.6b00788 rhinovirus B14 1
27996267 10.1021/acs.jmedchem.6b00788 H1-HeLa 1

Data from ChEMBL 36 via Core Engine