Compound Detail
CHEMBL471799
MACARANGAFLAVANONE B Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL471799 |
| Name | MACARANGAFLAVANONE B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNEAAJKGMLICIY-QFIPXVFZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
5.53
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.57
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.99 | 5.99 | 1030.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.59 | 5.59 | 2590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 1030.0 | nM | 5.99 | Inhibition of recombinant human PTP1B using p-nitrophenyl phosphate as substrate... | 28522265 |
| Unchecked | IC50 | = | 2590.0 | nM | 5.59 | Inhibition of melanin synthesis in NHEM cells assessed as [14C]thiouracil incorp... | 19132934 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28522265 | 10.1016/j.bmc.2017.05.009 | Tyrosine-protein phosphatase non-receptor type 1 | 2 |
| 15787448 | 10.1021/np049639x | A2780 | 1 |
| 19132934 | 10.1021/np800395j | Unchecked | 1 |
| 19132934 | 10.1021/np800395j | ADMET | 1 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | MCF7 | 1 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | SW480 | 1 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | HepG2 | 1 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | RAW264.7 | 1 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | Unchecked | 1 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | Mushroom tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine