| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4293144
Max Phase: Preclinical
Molecular Formula: C15H18O7
Molecular Weight: 310.30
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1c(OCC(O)C(C)(C)O)c(O)cc2ccc(=O)oc12
Standard InChI: InChI=1S/C15H18O7/c1-15(2,19)10(17)7-21-13-9(16)6-8-4-5-11(18)22-12(8)14(13)20-3/h4-6,10,16-17,19H,7H2,1-3H3
Standard InChI Key: HYXMOJZLSYCDLG-UHFFFAOYSA-N
Associated Targets(Human)
HMC1 (49 Activities)
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 310.30 | Molecular Weight (Monoisotopic): 310.1053 | AlogP: 1.02 | #Rotatable Bonds: 5 |
| Polar Surface Area: 109.36 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.91 | CX Basic pKa: | CX LogP: 0.54 | CX LogD: 0.54 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.71 | Np Likeness Score: 1.66 |
References
| 1. Tamura S, Yoshihira K, Kawano T, Murakami N.. (2018) Inhibitor for FcεRI expression on mast cell from Verbasucum thapsus L., 28 (20): [PMID:30217416] [10.1016/j.bmcl.2018.09.007] |
Source
Source(1):