| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3527369
Max Phase: Preclinical
Molecular Formula: C24H28N2O3
Molecular Weight: 392.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCc1cc2c(cc1[14CH2]C)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2
Standard InChI: InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1/i3+2/t18?,22-
Standard InChI Key: QZZUEBNBZAPZLX-BJYZFDBASA-N
Associated Targets(Human)
Serum 1292 Activities
Homo sapiens 32628 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: 392.50 | Molecular Weight (Monoisotopic): 392.2100 | AlogP: 3.15 | #Rotatable Bonds: 6 |
| Polar Surface Area: 85.35 | Molecular Species: BASE | HBA: 4 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.51 | CX Basic pKa: 9.71 | CX LogP: 3.26 | CX LogD: 2.32 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.52 | Np Likeness Score: 0.35 |
References
| 1. Kagan M, Dain J, Peng L, Reynolds C.. (2012) Metabolism and pharmacokinetics of indacaterol in humans., 40 (9): [PMID:22648561] [10.1124/dmd.112.046151] |
Source
Source(1):