Compound Detail
CHEMBL458132
MAYTENOIC ACID Enter ChEMBL ID:
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C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL458132 |
| Name | MAYTENOIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHWHDGKOSUKYOV-GDXNDQEESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
456.7
MW (Da)
7.52
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| H9 CHEMBL614806 | IC50 | 4.36 | 4.36 | 44000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H9 | IC50 | = | 44000.0 | nM | 4.36 | Cytotoxicity against human H9 cells | 1375626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14510595 | 10.1021/np0301543 | Aldo-keto reductase family 1 member B1 | 2 |
| 2095372 | 10.1021/np50070a050 | A549 | 1 |
| 1375626 | 10.1021/np50081a010 | Human immunodeficiency virus 1 | 1 |
| 1375626 | 10.1021/np50081a010 | H9 | 1 |
| 20873773 | 10.1021/jf1022115 | Spinacia oleracea | 1 |
Data from ChEMBL 36 via Core Engine