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Compound Detail

CHEMBL3612090

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CC(C)OP(=O)(N/N=C/c1ccncc1)OC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3612090
Phase Preclinical
Structure Type MOL
InChI Key NLNFVUMNODWOFX-NTEUORMPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
2.96
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H20N3O3P
MW 285.28
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
26107111 10.1016/j.ejmech.2015.06.014 Leishmania braziliensis 2
26107111 10.1016/j.ejmech.2015.06.014 Leishmania amazonensis 2
26107111 10.1016/j.ejmech.2015.06.014 J774 1

Data from ChEMBL 36 via Core Engine