Compound Detail
CHEMBL540956
CINNAMTANNIN B1 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
Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2
Basic Information
| ChEMBL ID | CHEMBL540956 |
| Name | CINNAMTANNIN B1 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYSRPHRKESMCPO-LQNPQWRQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
864.8
MW (Da)
4.24
ALogP
18
HBA
14
HBD
320.1
PSA (Ų)
0.11
QED
3
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 21000.0 | nM | 4.68 | Anti-HIV activity in cell culture assay expressed as EC50 values. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17602466 | 10.1021/jm070508d | Platelet | 21 |
| 11000024 | 10.1021/np000128u | Escherichia coli | 5 |
| - | 10.1016/S0960-894X(00)80422-9 | Human immunodeficiency virus 1 | 3 |
| 21875098 | 10.1021/np1007944 | Prostaglandin G/H synthase 2 | 3 |
| 17602466 | 10.1021/jm070508d | Tyrosine-protein kinase BTK | 2 |
| 17602466 | 10.1021/jm070508d | Proto-oncogene tyrosine-protein kinase Src | 2 |
| 1431932 | 10.1021/np50086a002 | HCT-8 | 1 |
| 33151073 | 10.1021/acs.jnatprod.0c00570 | Unchecked | 1 |
| 33151073 | 10.1021/acs.jnatprod.0c00570 | Dentine | 1 |
| 25517504 | 10.1021/np500715x | No relevant target | 1 |
| 20568785 | 10.1021/np1002274 | Unchecked | 1 |
| 1431932 | 10.1021/np50086a002 | NON-PROTEIN TARGET | 1 |
| 1431932 | 10.1021/np50086a002 | KB | 1 |
| 1431932 | 10.1021/np50086a002 | A549 | 1 |
| 1431932 | 10.1021/np50086a002 | TE-671 | 1 |
| - | 10.1016/S0960-894X(00)80422-9 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| - | 10.1016/S0960-894X(00)80422-9 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine