| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4787728
Max Phase: Preclinical
Molecular Formula: C25H24ClN3O2
Molecular Weight: 433.94
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(Cl)cc3)c(CC3CCCCC3)nc21
Standard InChI: InChI=1S/C25H24ClN3O2/c1-28-20-10-6-5-9-19(20)23(30)22-24(28)27-21(15-16-7-3-2-4-8-16)29(25(22)31)18-13-11-17(26)12-14-18/h5-6,9-14,16H,2-4,7-8,15H2,1H3
Standard InChI Key: YIKISTZUNFFLKN-UHFFFAOYSA-N
Associated Targets(Human)
Dopamine D5 receptor 1597 Activities
Dopamine D1 receptor 9720 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: 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: 433.94 | Molecular Weight (Monoisotopic): 433.1557 | AlogP: 5.01 | #Rotatable Bonds: 3 |
| Polar Surface Area: 56.89 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.70 | CX LogD: 5.70 |
| Aromatic Rings: 4 | Heavy Atoms: 31 | QED Weighted: 0.43 | Np Likeness Score: -0.96 |
References
| 1. Luderman KD,Jain P,Benjamin Free R,Conroy JL,Aubé J,Sibley DR,Frankowski KJ. (2021) Development of pyrimidone D1 dopamine receptor positive allosteric modulators., 31 [PMID:33221389] [10.1016/j.bmcl.2020.127696] |
Source
Source(1):