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Compound Detail

CHEMBL5176801

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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](OCC)[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 CHEMBL5176801
Phase Preclinical
Structure Type MOL
InChI Key VACCVDMOGXCIKP-GZWCTWLGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

636.7
MW (Da)
2.04
ALogP
12
HBA
1
HBD
156.8
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H40N2O10
MW 636.70
Aromatic Rings 0
Heavy Atoms 46
NP-Likeness 2.15

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