| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4789328
Max Phase: Preclinical
Molecular Formula: C21H25N3O
Molecular Weight: 335.45
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1ccccc1N1CCN(C(=O)C2Cc3ccccc3N2C)CC1
Standard InChI: InChI=1S/C21H25N3O/c1-16-7-3-5-9-18(16)23-11-13-24(14-12-23)21(25)20-15-17-8-4-6-10-19(17)22(20)2/h3-10,20H,11-15H2,1-2H3
Standard InChI Key: RDGGXTBAOGMDEE-UHFFFAOYSA-N
Associated Targets(non-human)
Histamine H3 receptor 1015 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 335.45 | Molecular Weight (Monoisotopic): 335.1998 | AlogP: 2.70 | #Rotatable Bonds: 2 |
| Polar Surface Area: 26.79 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.62 | CX LogP: 3.70 | CX LogD: 3.70 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.84 | Np Likeness Score: -1.11 |
References
| 1. Huang Z,Yin L,Guan L,Li Z,Tan C. (2020) Novel piperazine-2,5-dione analogs bearing 1H-indole: Synthesis and biological effects., 30 (24): [PMID:33144244] [10.1016/j.bmcl.2020.127654] |
Source
Source(1):