| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1314635
Max Phase: Preclinical
Molecular Formula: C25H36BrNO2
Molecular Weight: 462.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCC(O)(c1ccc(Br)cc1)C(CNCCCCO)c1ccccc1
Standard InChI: InChI=1S/C25H36BrNO2/c1-2-3-4-8-17-25(29,22-13-15-23(26)16-14-22)24(20-27-18-9-10-19-28)21-11-6-5-7-12-21/h5-7,11-16,24,27-29H,2-4,8-10,17-20H2,1H3
Standard InChI Key: YMKLQAMJYGSGIO-UHFFFAOYSA-N
Associated Targets(non-human)
Streptokinase A 5805 Activities
Streptococcus 3973 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 462.47 | Molecular Weight (Monoisotopic): 461.1929 | AlogP: 5.75 | #Rotatable Bonds: 14 |
| Polar Surface Area: 52.49 | Molecular Species: BASE | HBA: 3 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.71 | CX Basic pKa: 9.76 | CX LogP: 5.81 | CX LogD: 3.51 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.31 | Np Likeness Score: -0.05 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):