| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3809148
Max Phase: Preclinical
Molecular Formula: C32H36FN5O3
Molecular Weight: 557.67
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2ccc(F)cc2)CC1
Standard InChI: InChI=1S/C32H36FN5O3/c1-23-6-2-3-7-28(23)36-18-20-37(21-19-36)29-14-11-25(31(40)34-15-5-17-38-16-4-8-30(38)39)22-27(29)35-32(41)24-9-12-26(33)13-10-24/h2-3,6-7,9-14,22H,4-5,8,15-21H2,1H3,(H,34,40)(H,35,41)
Standard InChI Key: AFQSZNHCXMNOHB-UHFFFAOYSA-N
Associated Targets(Human)
Follicle stimulating hormone receptor 234 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: 557.67 | Molecular Weight (Monoisotopic): 557.2802 | AlogP: 4.46 | #Rotatable Bonds: 9 |
| Polar Surface Area: 84.99 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 3.49 | CX LogP: 4.17 | CX LogD: 4.17 |
| Aromatic Rings: 3 | Heavy Atoms: 41 | QED Weighted: 0.38 | Np Likeness Score: -1.63 |
References
| 1. Abdel-Magid AF.. (2016) Targeting the Follicle Stimulating Hormone Receptor (FSHR) To Treat Fertility Disorders., 7 (4): [PMID:27096038] [10.1021/acsmedchemlett.6b00082] |
Source
Source(1):