| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3228815
Max Phase: Preclinical
Molecular Formula: C15H22IN3O
Molecular Weight: 260.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc(C)c2ccc(=O)n(CC[N+](C)(C)C)c2n1.[I-]
Standard InChI: InChI=1S/C15H22N3O.HI/c1-11-10-12(2)16-15-13(11)6-7-14(19)17(15)8-9-18(3,4)5;/h6-7,10H,8-9H2,1-5H3;1H/q+1;/p-1
Standard InChI Key: JIDGDMLQTCWXRU-UHFFFAOYSA-M
Associated Targets(non-human)
Canis familiaris 36305 Activities
Histamine H2 receptor 143 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: 260.36 | Molecular Weight (Monoisotopic): 260.1757 | AlogP: 1.72 | #Rotatable Bonds: 3 |
| Polar Surface Area: 34.89 | 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: 3.85 | CX LogP: -2.66 | CX LogD: -2.66 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.79 | Np Likeness Score: -0.78 |
References
| 1. Bolhofer WA, Hoffman JM, Habecker CN, Pietruszkiewicz AM, Cragoe EJ, Torchiana ML.. (1979) Inhibition of gastric acid secretion by 1,8-naphthyridin-2(1H)-ones., 22 (3): [PMID:423213] [10.1021/jm00189a016] |
Source
Source(1):