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Compound Detail

CHEMBL461024

CARCININE
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NCCC(=O)NCCc1c[nH]cn1

Basic Information

ChEMBL ID CHEMBL461024
Name CARCININE
Phase Preclinical
Structure Type MOL
InChI Key ANRUJJLGVODXIK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

182.2
MW (Da)
-0.58
ALogP
3
HBA
3
HBD
83.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H14N4O
MW 182.23
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.75

Activity Summary

Ki 1 meas. best 6.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL4124
Ki 6.53 6.53 294.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
28535470 10.1016/j.ejmech.2017.05.034 IL15-IL15 receptor 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
18683917 10.1021/jm8003625 Histamine H3 receptor 1
28535470 10.1016/j.ejmech.2017.05.034 PBMC 1

Data from ChEMBL 36 via Core Engine