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Compound Detail

CHEMBL315907

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CSC1=NN=C2C3CC[C@@H](C)C4CC[C@@]5(C)OO[C@@]34[C@H](OC2(O)S1)O5
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL315907
Phase Preclinical
Structure Type MOL
InChI Key PPJVCDVGFDIZQY-KBWAIYRBSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
2.70
ALogP
9
HBA
1
HBD
81.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22N2O5S2
MW 386.50
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 2.28

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
8355254 10.1021/jm00069a014 Plasmodium falciparum 4

Data from ChEMBL 36 via Core Engine