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Compound Detail

CHEMBL3354459

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O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(CNCC3CCCO3)c(O)cc(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3354459
Phase Preclinical
Structure Type MOL
InChI Key JIGJVNPZELITEY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

415.4
MW (Da)
2.26
ALogP
9
HBA
6
HBD
152.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21NO8
MW 415.40
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 1.01

Literature References

PubMed DOI Target Context # Activities
25488841 10.1016/j.bmcl.2014.11.039 Plasmodium falciparum 3
25488841 10.1016/j.bmcl.2014.11.039 No relevant target 1

Data from ChEMBL 36 via Core Engine