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Compound Detail

CHEMBL1275701

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O=c1ccn(CCCN2CCC[C@H]2CO)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1275701
Phase Preclinical
Structure Type MOL
InChI Key VGGAVTOTHPGQGN-JTQLQIEISA-N
0
Targets
3
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
-0.62
ALogP
5
HBA
2
HBD
78.3
PSA (Ų)
0.73
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 C12H19N3O3
MW 253.30
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.78

Activity Summary

EC50 1 meas.
IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
20817362 10.1016/j.ejmech.2010.08.026 Purine nucleoside phosphorylase 2
20817362 10.1016/j.ejmech.2010.08.026 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine