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Compound Detail

CHEMBL264531

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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)N(C)c1ccccc1)CCC(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL264531
Phase Preclinical
Structure Type MOL
InChI Key VGYHJSKZHNKQLP-DWTMQVELSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

655.8
MW (Da)
4.02
ALogP
6
HBA
4
HBD
159.9
PSA (Ų)
0.16
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H45N5O6
MW 655.80
Aromatic Rings 3
Heavy Atoms 48
NP-Likeness -0.23

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9667970 10.1021/jm980068d HeLa 2
9667970 10.1021/jm980068d Human rhinovirus A protease 1

Data from ChEMBL 36 via Core Engine