| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3561922
Max Phase: Preclinical
Molecular Formula: C30H22O10
Molecular Weight: 542.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc(O)c2c(c1)C(=O)[C@@]13C(=C(O)[C@H]4C(O)[C@@H]1[C@H]1C(O)[C@@H]3C(O)=C3C(=O)c5c(O)cc(C)cc5C(=O)[C@@]314)C2=O
Standard InChI: InChI=1S/C30H22O10/c1-7-3-9-13(11(31)5-7)21(33)17-25(37)20-23(35)15-16-24(36)19(29(15,17)27(9)39)26(38)18-22(34)14-10(28(40)30(16,18)20)4-8(2)6-12(14)32/h3-6,15-16,19-20,23-24,31-32,35-38H,1-2H3/t15-,16-,19+,20+,23?,24?,29+,30+/m0/s1
Standard InChI Key: OYNIPTDPTUSUAY-MXPSAXPWSA-N
Associated Targets(non-human)
RNA-editing ligase 1, mitochondrial 130 Activities
Molecule Features
| Natural Product: Yes | 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: 542.50 | Molecular Weight (Monoisotopic): 542.1213 | AlogP: 2.01 | #Rotatable Bonds: 0 |
| Polar Surface Area: 189.66 | Molecular Species: NEUTRAL | HBA: 10 | HBD: 6 |
| #RO5 Violations: 2 | HBA (Lipinski): 10 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 7.30 | CX Basic pKa: | CX LogP: 0.89 | CX LogD: 0.46 |
| Aromatic Rings: 2 | Heavy Atoms: 40 | QED Weighted: 0.29 | Np Likeness Score: 1.12 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):