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Compound Detail

CHEMBL332033

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CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)CNC(=O)CCc1ccccc1)C(C)C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL332033
Phase Preclinical
Structure Type MOL
InChI Key ZDHXLKZWHSTKHE-XZSZPMDUSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

702.8
MW (Da)
-0.05
ALogP
8
HBA
7
HBD
240.4
PSA (Ų)
0.10
QED
2
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H50N6O10
MW 702.81
Aromatic Rings 1
Heavy Atoms 50
NP-Likeness -0.33

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
7658449 10.1021/jm00018a022 Ribonucleoside-diphosphate reductase RR1 1

Data from ChEMBL 36 via Core Engine