| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1934049
Max Phase: Preclinical
Molecular Formula: C24H32N2
Molecular Weight: 348.53
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@H]1CCCN1Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1
Standard InChI: InChI=1S/C24H32N2/c1-20-6-5-17-26(20)19-22-9-13-24(14-10-22)23-11-7-21(8-12-23)18-25-15-3-2-4-16-25/h7-14,20H,2-6,15-19H2,1H3/t20-/m0/s1
Standard InChI Key: CYEHQNDZHVQYCV-FQEVSTJZSA-N
Associated Targets(Human)
Histamine H4 receptor 3997 Activities
Histamine H3 receptor 10389 Activities
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Associated Targets(non-human)
Histamine H2 receptor 1693 Activities
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Histamine H1 receptor 2054 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Histamine H3 receptor 2579 Activities
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 348.53 | Molecular Weight (Monoisotopic): 348.2565 | AlogP: 5.32 | #Rotatable Bonds: 5 |
| Polar Surface Area: 6.48 | Molecular Species: BASE | HBA: 2 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 9.98 | CX LogP: 5.18 | CX LogD: 0.76 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.72 | Np Likeness Score: -0.93 |
References
| 1. Bordi F, Rivara S, Dallaturca E, Carmi C, Pala D, Lodola A, Vacondio F, Flammini L, Bertoni S, Ballabeni V, Barocelli E, Mor M.. (2012) Dibasic biphenyl H3 receptor antagonists: Steric tolerance for a lipophilic side chain., 48 [PMID:22222138] [10.1016/j.ejmech.2011.12.019] |
Source
Source(1):