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Compound Detail

CHEMBL2369481

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CCC(CC)NC(=O)N[C@H](C(=O)N1CCCC[C@H]1C(=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 CHEMBL2369481
Phase Preclinical
Structure Type BOTH
InChI Key JVYMGIMJTABOGF-BPBCIEFSSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

583.7
MW (Da)
1.85
ALogP
6
HBA
6
HBD
194.2
PSA (Ų)
0.18
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H49N5O8
MW 583.73
Aromatic Rings 0
Heavy Atoms 41
NP-Likeness -0.10

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