| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA29780
Max Phase: Preclinical
Molecular Formula: C26H24N6O3
Molecular Weight: 468.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)Oc1c(C(=O)Nc2nn[nH]n2)n(-c2ccccc2)c2ccc(OCc3ccccc3)cc12
Standard InChI: InChI=1S/C26H24N6O3/c1-17(2)35-24-21-15-20(34-16-18-9-5-3-6-10-18)13-14-22(21)32(19-11-7-4-8-12-19)23(24)25(33)27-26-28-30-31-29-26/h3-15,17H,16H2,1-2H3,(H2,27,28,29,30,31,33)
Standard InChI Key: GAAICVWIRMBKNY-UHFFFAOYSA-N
Associated Targets(Human)
IgE Fc receptor, alpha-subunit 61 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: 468.52 | Molecular Weight (Monoisotopic): 468.1910 | AlogP: 4.76 | #Rotatable Bonds: 8 |
| Polar Surface Area: 106.95 | Molecular Species: ACID | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.16 | CX Basic pKa: | CX LogP: 5.49 | CX LogD: 3.96 |
| Aromatic Rings: 5 | Heavy Atoms: 35 | QED Weighted: 0.34 | Np Likeness Score: -1.24 |
References
| 1. Unangst PC, Connor DT, Stabler SR, Weikert RJ, Carethers ME, Kennedy JA, Thueson DO, Chestnut JC, Adolphson RL, Conroy MC.. (1989) Novel indolecarboxamidotetrazoles as potential antiallergy agents., 32 (6): [PMID:2470904] [10.1021/jm00126a036] |
Source
Source(1):