| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4061748
Max Phase: Preclinical
Molecular Formula: C28H20N4O4S
Molecular Weight: 508.56
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N#Cc1c(N)nc(SCC(=O)c2ccc(O)c(O)c2)c(C#N)c1-c1ccc(COc2ccccc2)cc1
Standard InChI: InChI=1S/C28H20N4O4S/c29-13-21-26(18-8-6-17(7-9-18)15-36-20-4-2-1-3-5-20)22(14-30)28(32-27(21)31)37-16-25(35)19-10-11-23(33)24(34)12-19/h1-12,33-34H,15-16H2,(H2,31,32)
Standard InChI Key: NTVDFSZIHCPOCM-UHFFFAOYSA-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: 508.56 | Molecular Weight (Monoisotopic): 508.1205 | AlogP: 5.04 | #Rotatable Bonds: 8 |
| Polar Surface Area: 153.25 | Molecular Species: NEUTRAL | HBA: 9 | HBD: 3 |
| #RO5 Violations: 2 | HBA (Lipinski): 8 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 7.86 | CX Basic pKa: | CX LogP: 4.98 | CX LogD: 4.86 |
| Aromatic Rings: 4 | Heavy Atoms: 37 | QED Weighted: 0.17 | Np Likeness Score: -0.88 |
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):