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Compound Detail

CHEMBL274656

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c1ccc2nc(CN3CCc4c([nH]c5ccccc45)C3)ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL274656
Phase Preclinical
Structure Type MOL
InChI Key PVBKXYNBDRQYAR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
4.27
ALogP
2
HBA
1
HBD
31.9
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 C21H19N3
MW 313.40
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
24980054 10.1016/j.bmcl.2014.06.030 Leishmania donovani 6
2884314 10.1021/jm00389a022 D(2) dopamine receptor 2
24980054 10.1016/j.bmcl.2014.06.030 Trypanosoma brucei 2
2884314 10.1021/jm00389a022 Rattus norvegicus 1
26560048 10.1016/j.ejmech.2015.10.049 Unchecked 1

Data from ChEMBL 36 via Core Engine