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Compound Detail

CHEMBL432408

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CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL432408
Phase Preclinical
Structure Type BOTH
InChI Key PFVARFOWINWSRX-WRHUPJLPSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

980.1
MW (Da)
-3.35
ALogP
14
HBA
14
HBD
397.2
PSA (Ų)
0.04
QED
3
Ro5 Violations
29
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C44H69N9O16
MW 980.08
Aromatic Rings 1
Heavy Atoms 69
NP-Likeness 0.15

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
1310120 10.1021/jm00080a021 Ribonucleoside-diphosphate reductase large subunit 2

Data from ChEMBL 36 via Core Engine