Compound Detail
CHEMBL241402
3'-O-METHYLOROBOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL241402 |
| Name | 3'-O-METHYLOROBOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMFBGWWGXBNJAC-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
2.59
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U-937 CHEMBL612794 | IC50 | 4.17 | 4.1233 | 68000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-937 | IC50 | = | 68000.0 | nM | 4.17 | Antiproliferative activity against human U937 cells after 24 hrs by WST-8 assay | 17158054 |
| U-937 | IC50 | = | 74000.0 | nM | 4.13 | Antiproliferative activity against human U937 cells after 72 hrs by WST-8 assay | 17158054 |
| U-937 | IC50 | = | 85000.0 | nM | 4.07 | Antiproliferative activity against human U937 cells after 48 hrs by WST-8 assay | 17158054 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17158054 | 10.1016/j.bmc.2006.09.024 | U-937 | 3 |
| 11170668 | 10.1021/np000406p | HSC-2 | 2 |
| 26227773 | 10.1016/j.bmcl.2015.07.017 | Pancreatic triacylglycerol lipase | 2 |
| 12932139 | 10.1021/np030024u | Aspergillus fumigatus | 2 |
| 29482940 | 10.1016/j.bmcl.2018.02.026 | BV-2 | 1 |
| 21265557 | 10.1021/np1005218 | Staphylococcus aureus | 1 |
| 21265557 | 10.1021/np1005218 | Klebsiella pneumoniae | 1 |
| 21265557 | 10.1021/np1005218 | Pseudomonas aeruginosa | 1 |
| 21265557 | 10.1021/np1005218 | Escherichia coli | 1 |
| 21265557 | 10.1021/np1005218 | Aspergillus niger | 1 |
| 21265557 | 10.1021/np1005218 | Candida albicans | 1 |
| 12932139 | 10.1021/np030024u | Aspergillus nidulans | 1 |
| 12932139 | 10.1021/np030024u | Cryptococcus neoformans | 1 |
| 12932139 | 10.1021/np030024u | Pichia kudriavzevii | 1 |
| 12932139 | 10.1021/np030024u | Nakaseomyces glabratus | 1 |
| 12932139 | 10.1021/np030024u | Candida parapsilosis | 1 |
| 12932139 | 10.1021/np030024u | Candida albicans | 1 |
| 11170668 | 10.1021/np000406p | ADMET | 1 |
Data from ChEMBL 36 via Core Engine