| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3694837
Max Phase: Preclinical
Molecular Formula: C9H15N5
Molecular Weight: 193.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Nc1nccc(N2CCC(N)CC2)n1
Standard InChI: InChI=1S/C9H15N5/c10-7-2-5-14(6-3-7)8-1-4-12-9(11)13-8/h1,4,7H,2-3,5-6,10H2,(H2,11,12,13)
Standard InChI Key: KBZTWADNPXTKQW-UHFFFAOYSA-N
Associated Targets(Human)
Histamine H3 receptor 10389 Activities
Associated Targets(non-human)
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: 193.25 | Molecular Weight (Monoisotopic): 193.1327 | AlogP: -0.01 | #Rotatable Bonds: 1 |
| Polar Surface Area: 81.06 | Molecular Species: BASE | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.03 | CX LogP: -0.19 | CX LogD: -2.92 |
| Aromatic Rings: 1 | Heavy Atoms: 14 | QED Weighted: 0.66 | Np Likeness Score: -1.31 |
References
| 1. (2014) 4-substituted-2-amino-pyrimidine derivatives, |
Source
Source(1):