| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4530219
Max Phase: Preclinical
Molecular Formula: C22H30O2
Molecular Weight: 326.48
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: C/C=C/C=C/c1c(CC=C(C)C)cc(CC=C(C)C)c(O)c1CO
Standard InChI: InChI=1S/C22H30O2/c1-6-7-8-9-20-18(12-10-16(2)3)14-19(13-11-17(4)5)22(24)21(20)15-23/h6-11,14,23-24H,12-13,15H2,1-5H3/b7-6+,9-8+
Standard InChI Key: JXRYYYLZGPTVQT-BLHCBFLLSA-N
Associated Targets(Human)
Transient receptor potential cation channel subfamily V member 4 774 Activities
Associated Targets(non-human)
Histoplasma capsulatum 403 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 326.48 | Molecular Weight (Monoisotopic): 326.2246 | AlogP: 5.49 | #Rotatable Bonds: 7 |
| Polar Surface Area: 40.46 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 9.59 | CX Basic pKa: | CX LogP: 6.01 | CX LogD: 6.01 |
| Aromatic Rings: 1 | Heavy Atoms: 24 | QED Weighted: 0.51 | Np Likeness Score: 1.66 |
References
| 1. Lin Z, Kakule TB, Reilly CA, Beyhan S, Schmidt EW.. (2019) Secondary Metabolites of Onygenales Fungi Exemplified by Aioliomyces pyridodomos., 82 (6): [PMID:31155876] [10.1021/acs.jnatprod.9b00121] |
| 2. Lawhorn BG, Brnardic EJ, Behm DJ.. (2020) Recent advances in TRPV4 agonists and antagonists., 30 (8): [PMID:32063431] [10.1016/j.bmcl.2020.127022] |
Source
Source(1):