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Compound Detail

CHEMBL68193

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

Basic Information

ChEMBL ID CHEMBL68193
Phase Preclinical
Structure Type BOTH
InChI Key CCORZXPYDRTOSV-PCODUJHASA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

543.7
MW (Da)
0.97
ALogP
6
HBA
7
HBD
203.0
PSA (Ų)
0.16
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H45N5O8
MW 543.66
Aromatic Rings 0
Heavy Atoms 38
NP-Likeness 0.17

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
8667361 10.1021/jm950825x Ribonucleoside-diphosphate reductase large subunit 1

Data from ChEMBL 36 via Core Engine