| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3392459
Max Phase: Preclinical
Molecular Formula: C20H29N3O4S
Molecular Weight: 407.54
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C=C1CCN(C(CC(C)C)C(=O)NN2CCOCC2)S(=O)(=O)c2ccccc21
Standard InChI: InChI=1S/C20H29N3O4S/c1-15(2)14-18(20(24)21-22-10-12-27-13-11-22)23-9-8-16(3)17-6-4-5-7-19(17)28(23,25)26/h4-7,15,18H,3,8-14H2,1-2H3,(H,21,24)
Standard InChI Key: FRJFJIGBMIGFTD-UHFFFAOYSA-N
Associated Targets(Human)
Runt-related transcription factor 1/Core-binding factor subunit beta 7867 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: 407.54 | Molecular Weight (Monoisotopic): 407.1879 | AlogP: 1.87 | #Rotatable Bonds: 5 |
| Polar Surface Area: 78.95 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.63 | CX Basic pKa: | CX LogP: 1.73 | CX LogD: 1.73 |
| Aromatic Rings: 1 | Heavy Atoms: 28 | QED Weighted: 0.81 | Np Likeness Score: -0.66 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):