| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA61498
Max Phase: Preclinical
Molecular Formula: C18H27N3O2
Molecular Weight: 317.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)CC(N)CC
Standard InChI: InChI=1S/C18H27N3O2/c1-3-5-10-20-18(23)16-11-13-8-6-7-9-15(13)21(16)17(22)12-14(19)4-2/h6-9,14,16H,3-5,10-12,19H2,1-2H3,(H,20,23)/t14?,16-/m0/s1
Standard InChI Key: LRQQXHAERBCTNC-WMCAAGNKSA-N
Associated Targets(non-human)
Cckar Cholecystokinin A receptor (90 Activities)
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: 317.43 | Molecular Weight (Monoisotopic): 317.2103 | AlogP: 1.99 | #Rotatable Bonds: 7 |
| Polar Surface Area: 75.43 | Molecular Species: BASE | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.37 | CX LogP: 1.80 | CX LogD: -0.15 |
| Aromatic Rings: 1 | Heavy Atoms: 23 | QED Weighted: 0.76 | Np Likeness Score: -0.79 |
References
| 1. Kordik CP, Reitz AB.. (1999) Pharmacological treatment of obesity: therapeutic strategies., 42 (2): [PMID:9925722] [10.1021/jm980521l] |
Source
Source(1):