| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4077803
Max Phase: Preclinical
Molecular Formula: C27H29NO10
Molecular Weight: 527.53
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(/C(C)=N/O)CC3OC1CCC(O)C(C)O1
Standard InChI: InChI=1S/C27H29NO10/c1-11-15(29)7-8-18(37-11)38-17-10-27(34,12(2)28-35)9-14-20(17)26(33)22-21(24(14)31)23(30)13-5-4-6-16(36-3)19(13)25(22)32/h4-6,11,15,17-18,29,31,33-35H,7-10H2,1-3H3/b28-12+
Standard InChI Key: VTALQNVQGGYCNR-KVSWJAHQSA-N
Associated Targets(Human)
ELAV-like protein 1 119 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: 527.53 | Molecular Weight (Monoisotopic): 527.1791 | AlogP: 2.35 | #Rotatable Bonds: 4 |
| Polar Surface Area: 175.34 | Molecular Species: NEUTRAL | HBA: 11 | HBD: 5 |
| #RO5 Violations: 2 | HBA (Lipinski): 11 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 7.09 | CX Basic pKa: 0.40 | CX LogP: 3.15 | CX LogD: 2.63 |
| Aromatic Rings: 2 | Heavy Atoms: 38 | QED Weighted: 0.15 | Np Likeness Score: 1.49 |
References
| 1. Nasti R, Rossi D, Amadio M, Pascale A, Unver MY, Hirsch AKH, Collina S.. (2017) Compounds Interfering with Embryonic Lethal Abnormal Vision (ELAV) Protein-RNA Complexes: An Avenue for Discovering New Drugs., 60 (20): [PMID:28587461] [10.1021/acs.jmedchem.6b01871] |
Source
Source(1):