Compound Detail
CHEMBL452220
ATOLAPHYLLIDINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL452220 |
| Name | ATOLAPHYLLIDINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMIBOFBCPAGGAC-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
3.28
ALogP
4
HBA
3
HBD
82.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| TGBC11TKB CHEMBL2366374 | IC50 | 5.55 | 5.55 | 2830.0 | 1 |
| CCRF-HSB-2 CHEMBL614541 | IC50 | 5.33 | 5.33 | 4650.0 | 1 |
| B16 CHEMBL381 | IC50 | 5.25 | 5.25 | 5580.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.16 | 5.135 | 6980.0 | 2 |
| HepG2 CHEMBL395 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of DYRK1A (unknown origin) assessed as inhibition of phosphate incorp... | 24798019 |
| TGBC11TKB | IC50 | = | 2830.0 | nM | 5.55 | Antiproliferative activity against human TGBC11TKB cells after 3 days by alamar ... | 10217715 |
| CCRF-HSB-2 | IC50 | = | 4650.0 | nM | 5.33 | Antiproliferative activity against human CCRF-HSB-2 cells after 3 days by alamar... | 10217715 |
| B16 | IC50 | = | 5580.0 | nM | 5.25 | Antiproliferative activity against mouse B16 cells after 3 days by alamar blue a... | 10217715 |
| A549 | IC50 | = | 6980.0 | nM | 5.16 | Antiproliferative activity against human A549 cells after 3 days by alamar blue ... | 10217715 |
| HepG2 | IC50 | = | 7300.0 | nM | 5.14 | Cytotoxicity against human HepG2 cells by MTT assay | 29975532 |
| A549 | IC50 | = | 7800.0 | nM | 5.11 | Cytotoxicity against human A549 cells by MTT assay | 29975532 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10217715 | 10.1021/np980504z | A549 | 1 |
| 10217715 | 10.1021/np980504z | B16 | 1 |
| 10217715 | 10.1021/np980504z | CCRF-HSB-2 | 1 |
| 10217715 | 10.1021/np980504z | TGBC11TKB | 1 |
| 24798019 | 10.1021/np400856h | Cyclin-dependent kinase 1 | 1 |
| 24798019 | 10.1021/np400856h | Cyclin-dependent kinase 5 | 1 |
| 24798019 | 10.1021/np400856h | Glycogen synthase kinase-3 | 1 |
| 24798019 | 10.1021/np400856h | Unchecked | 1 |
| 24798019 | 10.1021/np400856h | Dual specificity protein kinase CLK1 | 1 |
| 24798019 | 10.1021/np400856h | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 29975532 | 10.1021/acs.jnatprod.7b00938 | A549 | 1 |
| 29975532 | 10.1021/acs.jnatprod.7b00938 | MDA-MB-231 | 1 |
| 29975532 | 10.1021/acs.jnatprod.7b00938 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine