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Compound Detail

CHEMBL2087270

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CC(=O)O[C@@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@H]2OC(C)=O)[C@H]3C1)OCO5
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2087270
Phase Preclinical
Structure Type MOL
InChI Key JRYUQEZCMMJTGM-YGBSJELFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
1.67
ALogP
7
HBA
0
HBD
74.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21NO6
MW 371.39
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 2.17

Literature References

PubMed DOI Target Context # Activities
22910226 10.1016/j.bmc.2012.07.036 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine