Compound Detail
CHEMBL1063
DEACETYLCOLCHICINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1063 |
| Name | DEACETYLCOLCHICINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFPMXDMZJUJZBX-AWEZNQCLSA-N |
8
Targets
8
Activities
2
Assay Types
0
PK Parameters
17
Publications
1
Known Names
Molecular Properties
357.4
MW (Da)
2.69
ALogP
6
HBA
1
HBD
80.0
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.6
EC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| A549 CHEMBL392 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| HBL-100 CHEMBL614811 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| H9 CHEMBL614806 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
| Tubulin beta chain CHEMBL3394 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 25.0 | nM | 7.6 | Cytotoxicity against human HT-29 cells after 96 hrs using tetracolor one | 24900316 |
| HUVEC | IC50 | = | 34.0 | nM | 7.47 | Cytotoxicity against human HUVEC cells after 96 hrs using tetracolor one | 24900316 |
| A549 | IC50 | = | 36.0 | nM | 7.44 | Cytotoxicity against human A549 cells after 96 hrs using tetracolor one | 24900316 |
| HBL-100 | IC50 | = | 45.0 | nM | 7.35 | Antiproliferative activity against human HBL100 after 72 hrs by MTT assay | 22739088 |
| H9 | EC50 | = | 200.0 | nM | 6.7 | Cytotoxicity against human H9 cells | 1919593 |
| Human immunodeficiency virus 1 | IC50 | = | 200.0 | nM | 6.7 | Antiviral activity against HIV1 HTLV-3B in human H9 cells after 3 days by p24 an... | 1919593 |
| Tubulin beta chain | IC50 | = | 3000.0 | nM | 5.52 | Inhibitory effect on the polymerization of purified bovine brain tubulin. | 2299625 |
| Unchecked | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of bovine brain tubulin polymerization | 2095370 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900316 | 10.1021/ml100287y | HUVEC | 2 |
| 7265112 | 10.1021/jm00135a005 | Mus musculus | 2 |
| 7265111 | 10.1021/jm00135a004 | P388 | 1 |
| 22739088 | 10.1016/j.bmc.2012.05.072 | Unchecked | 1 |
| 22739088 | 10.1016/j.bmc.2012.05.072 | HBL-100 | 1 |
| 24900316 | 10.1021/ml100287y | HT-29 | 1 |
| 24900316 | 10.1021/ml100287y | A549 | 1 |
| 2095370 | 10.1021/np50070a044 | Unchecked | 1 |
| 1919593 | 10.1021/np50074a052 | H9 | 1 |
| 1919593 | 10.1021/np50074a052 | Human immunodeficiency virus 1 | 1 |
| 7241524 | 10.1021/jm00137a031 | No relevant target | 1 |
| 7265111 | 10.1021/jm00135a004 | No relevant target | 1 |
| 2299625 | 10.1021/jm00164a015 | Mus musculus | 1 |
| 2299625 | 10.1021/jm00164a015 | Tubulin beta chain | 1 |
| 7265112 | 10.1021/jm00135a005 | Tubulin | 1 |
| 7265112 | 10.1021/jm00135a005 | P388 | 1 |
| 7241524 | 10.1021/jm00137a031 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine