Compound Detail
CHEMBL463273
TELOCINOBUFAGIN Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@]12CC[C@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O
Basic Information
| ChEMBL ID | CHEMBL463273 |
| Name | TELOCINOBUFAGIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBSOJKPTQWWJJD-ZBDZJSKLSA-N |
6
Targets
7
Activities
2
Assay Types
1
PK Parameters
17
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
3.36
ALogP
5
HBA
3
HBD
90.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.3
Kd 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-MEL CHEMBL614914 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| NCI-H1299 CHEMBL612255 | IC50 | 6.97 | 6.97 | 106.6 | 1 |
| A549 CHEMBL392 | IC50 | 6.91 | 6.215 | 124.4 | 2 |
| PC-9 CHEMBL614102 | IC50 | 6.21 | 6.21 | 618.5 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Signal transducer and activator of transcription 3 CHEMBL4026 | Kd | 4.3 | 4.3 | 50300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 119.0 | 1/Ms | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-MEL | IC50 | = | 50.0 | nM | 7.3 | Cytotoxicity against human SK-MEL cells assessed as reduction in cell viability ... | 33882233 |
| NCI-H1299 | IC50 | = | 106.6 | nM | 6.97 | Cytotoxicity in human NCI-H1299 cells assessed as reduction in cell viability in... | 35200033 |
| A549 | IC50 | = | 124.4 | nM | 6.91 | Cytotoxicity in human A549 cells assessed as reduction in cell viability incubat... | 35200033 |
| PC-9 | IC50 | = | 618.5 | nM | 6.21 | Cytotoxicity in human PC-9 cells assessed as reduction in cell viability incubat... | 35200033 |
| HepG2 | IC50 | = | 2400.0 | nM | 5.62 | Cytotoxicity against human HepG2 cells after 24 hrs by MTT assay | 24050254 |
| A549 | IC50 | = | 3000.0 | nM | 5.52 | Cytotoxicity against human A549 cells after 24 hrs by MTT assay | 24050254 |
| Signal transducer and activator of transcription 3 | Kd | = | 50300.0 | nM | 4.3 | Binding affinity to STAT3 (unknown origin) assessed as dissociation constant (KD... | 35200033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35200033 | 10.1021/acs.jnatprod.1c00761 | Signal transducer and activator of transcription 3 | 30 |
| 35200033 | 10.1021/acs.jnatprod.1c00761 | NCI-H1299 | 11 |
| 35200033 | 10.1021/acs.jnatprod.1c00761 | PC-9 | 11 |
| 35200033 | 10.1021/acs.jnatprod.1c00761 | A549 | 7 |
| 35200033 | 10.1021/acs.jnatprod.1c00761 | Unchecked | 6 |
| 35200033 | 10.1021/acs.jnatprod.1c00761 | ADMET | 5 |
| 33882233 | 10.1021/acs.jnatprod.0c00840 | SK-MEL | 3 |
| 33882233 | 10.1021/acs.jnatprod.0c00840 | ADMET | 3 |
| 33882233 | 10.1021/acs.jnatprod.0c00840 | Danio rerio | 2 |
| 12459012 | 10.1021/jm0202066 | Unchecked | 2 |
| 35094507 | 10.1021/acs.jmedchem.1c01875 | Unchecked | 1 |
| 24050254 | 10.1021/np400174f | HepG2 | 1 |
| 24050254 | 10.1021/np400174f | A549 | 1 |
| 24050254 | 10.1021/np400174f | ADMET | 1 |
| 11575946 | 10.1021/np0101088 | MH60 | 1 |
| 11575946 | 10.1021/np0101088 | HL-60 | 1 |
| 11575946 | 10.1021/np0101088 | KB | 1 |
Data from ChEMBL 36 via Core Engine