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Compound Detail

CHEMBL228792

KINETIN
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c1coc(CNc2ncnc3[nH]cnc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL228792
Name KINETIN
Phase Preclinical
Structure Type MOL
InChI Key QANMHLXAZMSUEX-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

215.2
MW (Da)
1.56
ALogP
5
HBA
2
HBD
79.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H9N5O
MW 215.22
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness -1.35

Activity Summary

IC50 1 meas. best 4.66
Ki 1 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Endochitinase
CHEMBL1293195
 Ki 5.5 5.5 3200.0 1
HL-60
CHEMBL383
 IC50 4.66 4.66 21900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Endochitinase Ki = 3200.0 nM 5.5 Inhibition of Saccharomyces cerevisiae CTS1 21044846
HL-60 IC50 = 21900.0 nM 4.66 Antiproliferative activity against human HL60 cells 17300934

Literature References

PubMed DOI Target Context # Activities
33497938 10.1016/j.bmc.2021.115993 ADMET 6
37248632 10.1021/acs.jmedchem.3c00555 Serine/threonine-protein kinase PINK1, mitochondrial 3
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 2
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
29494841 10.1016/j.ejmech.2018.02.018 RAW264.7 2
29604584 10.1016/j.ejmech.2018.03.043 NHDF 2
29494841 10.1016/j.ejmech.2018.02.018 THP-1 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
29604584 10.1016/j.ejmech.2018.03.043 No relevant target 1
25467153 10.1016/j.bmcl.2014.10.080 Platelet 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
23062825 10.1016/j.bmc.2012.09.040 Cholinesterase 1
23062825 10.1016/j.bmc.2012.09.040 Acetylcholinesterase 1
21044846 10.1016/j.bmc.2010.09.062 Endochitinase 1

Data from ChEMBL 36 via Core Engine