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Compound Detail

CHEMBL4096247

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COc1c(CCC(C)(C)O)c(O)c(C(C)=O)c(O)c1Cc1c(O)c(C(C)=O)c(O)c(CCC(C)(C)O)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4096247
Phase Preclinical
Structure Type MOL
InChI Key KGIVPANWRZBFSM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

548.6
MW (Da)
3.93
ALogP
10
HBA
6
HBD
174.0
PSA (Ų)
0.21
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H40O10
MW 548.63
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness 0.90

Literature References

PubMed DOI Target Context # Activities
27228055 10.1021/acs.jnatprod.6b00347 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine