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Compound Detail

CHEMBL2391954

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Cc1cc2c(c([N+](=O)[O-])c1)OP(=S)(NC(C)C)OC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2391954
Phase Preclinical
Structure Type MOL
InChI Key UTPPHWXNXVRPHT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
3.03
ALogP
5
HBA
1
HBD
73.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H15N2O4PS
MW 302.29
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.77

Literature References

PubMed DOI Target Context # Activities
23659857 10.1016/j.bmcl.2013.04.026 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine