Compound Detail
CHEMBL481434
OBTUSIFOLIOL Enter ChEMBL ID:
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C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3)C(C)C
Basic Information
| ChEMBL ID | CHEMBL481434 |
| Name | OBTUSIFOLIOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMNYKQIDRZNIKT-VSADUBDNSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
426.7
MW (Da)
8.34
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 7.64 | 7.58 | 23.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 23.0 | nM | 7.64 | Substrate activity at Naegleria fowleri CYP51 expressed in Escherichia coli HMS-... | 34842434 |
| Unchecked | Kd | = | 30.0 | nM | 7.52 | Binding affinity to Acanthamoeba castellanii CYP51 expressed in Escherichia coli... | 38683753 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10650087 | 10.1021/np990394b | Unchecked | 4 |
| 34842434 | 10.1021/acs.jmedchem.1c01710 | Unchecked | 4 |
| 38683753 | 10.1021/acs.jmedchem.4c00303 | Unchecked | 4 |
| 10650087 | 10.1021/np990394b | Raji | 1 |
| 31663733 | 10.1021/acs.jmedchem.9b01485 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine