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Compound Detail

CHEMBL5175907

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C/C=C(/C)C(=O)OC[C@H]1C2=C(C[C@H]3[C@H]4C5=C(C(=O)C(C)=C(OC)C5=O)[C@H](O)[C@@H]([C@H](CC(C)=O)N13)N4C)C(=O)C(C)=C(O)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5175907
Phase Preclinical
Structure Type MOL
InChI Key JEVKEJUZGPEIIQ-TTYPVWQASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

608.6
MW (Da)
0.99
ALogP
12
HBA
2
HBD
167.8
PSA (Ų)
0.25
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H36N2O10
MW 608.64
Aromatic Rings 0
Heavy Atoms 44
NP-Likeness 2.30

Literature References

PubMed DOI Target Context # Activities
33333398 10.1016/j.ejmech.2020.113092 A549 1
33333398 10.1016/j.ejmech.2020.113092 HL-60 1

Data from ChEMBL 36 via Core Engine