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Compound Detail

CHEMBL245075

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CN1CCN(c2nc3cc([N+](=O)[O-])ccc3o2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL245075
Phase Preclinical
Structure Type MOL
InChI Key NAKLBDZRERYNLR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
1.49
ALogP
6
HBA
0
HBD
75.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14N4O3
MW 262.27
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.79

Literature References

PubMed DOI Target Context # Activities
17391967 10.1016/j.bmc.2007.02.054 5-hydroxytryptamine receptor 3A 3
26264839 10.1016/j.bmc.2015.07.051 Plasmodium falciparum 2
26264839 10.1016/j.bmc.2015.07.051 No relevant target 1

Data from ChEMBL 36 via Core Engine