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Compound Detail

CHEMBL2087261

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CCN(C=O)Cc1cc2c(cc1-c1ccc(O)cc1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2087261
Phase Preclinical
Structure Type MOL
InChI Key YSDSYGUAESLIAN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

299.3
MW (Da)
2.77
ALogP
4
HBA
1
HBD
59.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17NO4
MW 299.33
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.35

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