| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4762375
Max Phase: Preclinical
Molecular Formula: C25H25N3O2
Molecular Weight: 399.49
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1ccc(-n2c(C3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1
Standard InChI: InChI=1S/C25H25N3O2/c1-16-12-14-18(15-13-16)28-23(17-8-4-3-5-9-17)26-24-21(25(28)30)22(29)19-10-6-7-11-20(19)27(24)2/h6-7,10-15,17H,3-5,8-9H2,1-2H3
Standard InChI Key: AYWKCNXUVSVHMI-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 |
|---|
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: 399.49 | Molecular Weight (Monoisotopic): 399.1947 | AlogP: 4.59 | #Rotatable Bonds: 2 |
| Polar Surface Area: 56.89 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.42 | CX LogD: 5.42 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.46 | Np Likeness Score: -0.80 |
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):