Compound Detail
CHEMBL508187
ATALAPHYLLININE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL508187 |
| Name | ATALAPHYLLININE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJMYUQUOPGKBEZ-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
4.79
ALogP
4
HBA
3
HBD
82.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGBC11TKB CHEMBL2366374 | IC50 | 5.84 | 5.84 | 1430.0 | 1 |
| CCRF-HSB-2 CHEMBL614541 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| B16 CHEMBL381 | IC50 | 5.33 | 5.33 | 4630.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.2 | 5.155 | 6260.0 | 2 |
| HepG2 CHEMBL395 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGBC11TKB | IC50 | = | 1430.0 | nM | 5.84 | Antiproliferative activity against human TGBC11TKB cells after 3 days by alamar ... | 10217715 |
| CCRF-HSB-2 | IC50 | = | 2500.0 | nM | 5.6 | Antiproliferative activity against human CCRF-HSB-2 cells after 3 days by alamar... | 10217715 |
| B16 | IC50 | = | 4630.0 | nM | 5.33 | Antiproliferative activity against mouse B16 cells after 3 days by alamar blue a... | 10217715 |
| A549 | IC50 | = | 6260.0 | nM | 5.2 | Antiproliferative activity against human A549 cells after 3 days by alamar blue ... | 10217715 |
| HepG2 | IC50 | = | 6500.0 | nM | 5.19 | 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 |
| 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