Compound Detail
CHEMBL433257
HARRINGTONINE Enter ChEMBL ID:
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COC(=O)C[C@](O)(CCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4
Basic Information
| ChEMBL ID | CHEMBL433257 |
| Name | HARRINGTONINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAVJATCHLFRDHY-KSZYUSJVSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
531.6
MW (Da)
2.19
ALogP
10
HBA
2
HBD
124.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.33
EC50 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 7.33 | 7.315 | 47.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.62 | 6.62 | 240.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 47.0 | nM | 7.33 | Antiproliferative activity against human HL60 cells after 62 hrs by MTS assay | 29286665 |
| HL-60 | IC50 | = | 50.5 | nM | 7.3 | Antiproliferative activity against human HL-60 cells assessed as inhibition of c... | 35148094 |
| NON-PROTEIN TARGET | EC50 | = | 240.0 | nM | 6.62 | Antiviral activity against Chikungunya virus infected in BHK21 cells assessed as... | 24079775 |
| HeLa | IC50 | = | 4000.0 | nM | 5.4 | Antiproliferative activity against human HeLa cells assessed as inhibition of ce... | 35148094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885881 | Rattus norvegicus | 430 |
| 29286665 | 10.1021/acs.jnatprod.7b00541 | ADMET | 3 |
| 19540126 | 10.1016/j.bmc.2009.05.047 | N2a | 2 |
| - | 10.1016/0960-894X(96)00302-2 | P388 | 1 |
| 1710653 | 10.1021/np50073a012 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 19540126 | 10.1016/j.bmc.2009.05.047 | Unchecked | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 1 |
| 24079775 | 10.1021/jm400460d | NON-PROTEIN TARGET | 1 |
| 29286665 | 10.1021/acs.jnatprod.7b00541 | HL-60 | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| 35148094 | 10.1021/acs.jnatprod.1c00888 | HL-60 | 1 |
| 35148094 | 10.1021/acs.jnatprod.1c00888 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine