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Compound Detail

CHEMBL323355

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CCCCCCC(NC(=O)c1ccc(C#N)cc1)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL323355
Phase Preclinical
Structure Type MOL
InChI Key JOOSDCJBEPKADP-FSRLHOSWSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

567.7
MW (Da)
6.12
ALogP
5
HBA
2
HBD
108.3
PSA (Ų)
0.17
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H41N3O4
MW 567.73
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness -0.40

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9925737 10.1021/jm980562h Chymotrypsinogen B 1
9925737 10.1021/jm980562h Trypsin II 1
9925737 10.1021/jm980562h ADMET 1

Data from ChEMBL 36 via Core Engine