| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1915011
Max Phase: Preclinical
Molecular Formula: C30H26N4O4
Molecular Weight: 506.56
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1NC(c2cccc3ccccc23)C(=O)N1CCCCN1C(=O)NC(c2cccc3ccccc23)C1=O
Standard InChI: InChI=1S/C30H26N4O4/c35-27-25(23-15-7-11-19-9-1-3-13-21(19)23)31-29(37)33(27)17-5-6-18-34-28(36)26(32-30(34)38)24-16-8-12-20-10-2-4-14-22(20)24/h1-4,7-16,25-26H,5-6,17-18H2,(H,31,37)(H,32,38)
Standard InChI Key: PZMFFFVSVUBAIJ-UHFFFAOYSA-N
Associated Targets(Human)
Cystine/glutamate transporter 150 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: 506.56 | Molecular Weight (Monoisotopic): 506.1954 | AlogP: 4.66 | #Rotatable Bonds: 7 |
| Polar Surface Area: 98.82 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 10.76 | CX Basic pKa: | CX LogP: 3.80 | CX LogD: 3.80 |
| Aromatic Rings: 4 | Heavy Atoms: 38 | QED Weighted: 0.28 | Np Likeness Score: -0.38 |
References
| 1. Ahmed SK, Etoga JL, Patel SA, Bridges RJ, Thompson CM.. (2011) Use of the hydantoin isostere to produce inhibitors showing selectivity toward the vesicular glutamate transporter versus the obligate exchange transporter system x(c)(-)., 21 (14): [PMID:21669531] [10.1016/j.bmcl.2011.05.018] |
Source
Source(1):