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Compound Detail

CHEMBL4860858

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COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C=C(C(=O)NCCc3ccc(O)cc3)[C@@H]2C(=O)NCCc2ccc(O)cc2)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4860858
Phase Preclinical
Structure Type MOL
InChI Key IFNFMIMLJKQPGW-WEZIJMHWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

684.7
MW (Da)
4.41
ALogP
10
HBA
6
HBD
176.0
PSA (Ų)
0.12
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C38H40N2O10
MW 684.74
Aromatic Rings 4
Heavy Atoms 50
NP-Likeness 0.65

Literature References

PubMed DOI Target Context # Activities
33822610 10.1021/acs.jnatprod.1c00055 BV-2 1

Data from ChEMBL 36 via Core Engine