| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3210068
Max Phase: Preclinical
Molecular Formula: C25H22N4O4
Molecular Weight: 442.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cccc(C(N)=O)c2)cc1
Standard InChI: InChI=1S/C25H22N4O4/c1-14-6-8-18(9-7-14)28-24(32)21-11-20-17(13-30)12-27-15(2)22(20)33-25(21)29-19-5-3-4-16(10-19)23(26)31/h3-12,30H,13H2,1-2H3,(H2,26,31)(H,28,32)/b29-25-
Standard InChI Key: LCSHZQCYUXMVOB-GNVQSUKOSA-N
Associated Targets(Human)
Importin subunit beta-1/Snurportin-1 25097 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: 442.48 | Molecular Weight (Monoisotopic): 442.1641 | AlogP: 3.52 | #Rotatable Bonds: 5 |
| Polar Surface Area: 130.81 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.47 | CX Basic pKa: 4.60 | CX LogP: 2.48 | CX LogD: 2.48 |
| Aromatic Rings: 4 | Heavy Atoms: 33 | QED Weighted: 0.44 | Np Likeness Score: -1.32 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):