| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1921990
Max Phase: Preclinical
Molecular Formula: C23H25N5O2
Molecular Weight: 403.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: c1ccc(Nc2cc(NCc3ccc4c(c3)OCO4)nc(N3CCCCC3)n2)cc1
Standard InChI: InChI=1S/C23H25N5O2/c1-3-7-18(8-4-1)25-22-14-21(26-23(27-22)28-11-5-2-6-12-28)24-15-17-9-10-19-20(13-17)30-16-29-19/h1,3-4,7-10,13-14H,2,5-6,11-12,15-16H2,(H2,24,25,26,27)
Standard InChI Key: VRPWYYDLFHPJML-UHFFFAOYSA-N
Associated Targets(Human)
Galanin receptor 2 360 Activities
Galanin receptor 1 253 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 403.49 | Molecular Weight (Monoisotopic): 403.2008 | AlogP: 4.55 | #Rotatable Bonds: 6 |
| Polar Surface Area: 71.54 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.91 | CX LogP: 5.14 | CX LogD: 5.12 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.63 | Np Likeness Score: -1.15 |
References
| 1. Sagi VN, Liu T, Lu X, Bartfai T, Roberts E.. (2011) Synthesis and biological evaluation of novel pyrimidine derivatives as sub-micromolar affinity ligands of GalR2., 21 (23): [PMID:22018787] [10.1016/j.bmcl.2011.09.033] |
Source
Source(1):