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Compound Detail

CHEMBL405139

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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/c1cocn1)CCC(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL405139
Phase Preclinical
Structure Type MOL
InChI Key MNCPBVBEXYSOPO-RNEMCHBDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

589.7
MW (Da)
3.51
ALogP
7
HBA
4
HBD
165.7
PSA (Ų)
0.20
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 C32H39N5O6
MW 589.69
Aromatic Rings 3
Heavy Atoms 43
NP-Likeness 0.13

Literature References

PubMed DOI Target Context # Activities
9667970 10.1021/jm980068d Human rhinovirus A protease 2
9667970 10.1021/jm980068d HeLa 2

Data from ChEMBL 36 via Core Engine