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Compound Detail

CHEMBL186961

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c1ccc(NC2=NCCN2)cc1

Basic Information

ChEMBL ID CHEMBL186961
Phase Preclinical
Structure Type MOL
InChI Key JCOPITWIWLFFPC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

161.2
MW (Da)
1.06
ALogP
3
HBA
2
HBD
36.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H11N3
MW 161.21
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.68

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9510 10.1021/jm00230a014 No relevant target 3
6105218 10.1021/jm00182a015 Rattus norvegicus 2
9510 10.1021/jm00230a014 Rattus norvegicus 2
2066976 10.1021/jm00111a020 No relevant target 1
8411009 10.1021/jm00072a012 No relevant target 1
15324890 10.1016/j.bmcl.2004.06.085 5-hydroxytryptamine receptor 1B 1
15324890 10.1016/j.bmcl.2004.06.085 5-hydroxytryptamine receptor 1D 1
18247550 10.1021/jm7013088 Plasmodium falciparum 1
18247550 10.1021/jm7013088 Trypanosoma brucei rhodesiense 1
18247550 10.1021/jm7013088 L6 1
27108161 10.1016/j.ejmech.2016.03.047 No relevant target 1

Data from ChEMBL 36 via Core Engine