Compound Detail
CHEMBL244969
(+/-)-ANTOFINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL244969 |
| Name | (+/-)-ANTOFINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCVWJDISIZHFQS-UHFFFAOYSA-N |
6
Targets
9
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
363.5
MW (Da)
4.54
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 7.96 | 7.745 | 11.0 | 2 |
| SK-HEP1 CHEMBL614912 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| A549 CHEMBL392 | IC50 | 7.7 | 7.6533 | 20.0 | 3 |
| SNU-638 CHEMBL614935 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| HCT-15 CHEMBL612263 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| HT-1080 CHEMBL614580 | IC50 | 7.56 | 7.56 | 27.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 11.0 | nM | 7.96 | Cytotoxicity against human HCT116 cells after 72 hrs by SRB assay | 23294831 |
| SK-HEP1 | IC50 | = | 16.0 | nM | 7.8 | Cytotoxicity against human SKHEP1 cells after 72 hrs by SRB assay | 23294831 |
| A549 | IC50 | = | 20.0 | nM | 7.7 | Cytotoxicity against human A549 cells after 72 hrs by SRB assay | 23294831 |
| SNU-638 | IC50 | = | 21.0 | nM | 7.68 | Cytotoxicity against human SNU638 cells after 72 hrs by SRB assay | 23294831 |
| A549 | IC50 | = | 22.0 | nM | 7.66 | Cytotoxicity against human paclitaxel-resistant A549 cells after 72 hrs by SRB a... | 23294831 |
| A549 | IC50 | = | 25.1 | nM | 7.6 | Cytotoxicity against human A549 cells by SRB assay | 17049857 |
| HCT-15 | IC50 | = | 25.0 | nM | 7.6 | Cytotoxicity against human HCT15 cells after 72 hrs by SRB assay | 23294831 |
| HT-1080 | IC50 | = | 27.5 | nM | 7.56 | Cytotoxicity against human HT1080 cells by SRB assay | 17049857 |
| HCT-116 | IC50 | = | 29.4 | nM | 7.53 | Cytotoxicity against human HCT116 cells by SRB assay | 17049857 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20000413 | 10.1021/jf902543r | Tobacco mosaic virus | 8 |
| 23294831 | 10.1016/j.bmc.2012.11.039 | A549 | 2 |
| 17049857 | 10.1016/j.bmcl.2006.09.080 | HCT-116 | 1 |
| 17049857 | 10.1016/j.bmcl.2006.09.080 | HT-1080 | 1 |
| 17049857 | 10.1016/j.bmcl.2006.09.080 | A549 | 1 |
| 18456501 | 10.1016/j.bmc.2008.04.032 | A549 | 1 |
| 18456501 | 10.1016/j.bmc.2008.04.032 | MCF7 | 1 |
| 18456501 | 10.1016/j.bmc.2008.04.032 | KB | 1 |
| 18456501 | 10.1016/j.bmc.2008.04.032 | NON-PROTEIN TARGET | 1 |
| 23294831 | 10.1016/j.bmc.2012.11.039 | HCT-116 | 1 |
| 23294831 | 10.1016/j.bmc.2012.11.039 | HCT-15 | 1 |
| 23294831 | 10.1016/j.bmc.2012.11.039 | SNU-638 | 1 |
| 23294831 | 10.1016/j.bmc.2012.11.039 | SK-HEP1 | 1 |
Data from ChEMBL 36 via Core Engine