| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3984576
Max Phase: Preclinical
Molecular Formula: C38H47FN4O2
Molecular Weight: 610.82
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(/C=C/c1ccc(F)cc1)NC[C@@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)[C@H](CCCNC2CCCCC2)N1
Standard InChI: InChI=1S/C38H47FN4O2/c39-32-21-18-29(19-22-32)20-23-37(44)41-27-34-24-26-43(28-35(30-11-4-1-5-12-30)31-13-6-2-7-14-31)38(45)36(42-34)17-10-25-40-33-15-8-3-9-16-33/h1-2,4-7,11-14,18-23,33-36,40,42H,3,8-10,15-17,24-28H2,(H,41,44)/b23-20+/t34-,36-/m0/s1
Standard InChI Key: LNDVFZQEVZYSGF-CIQLSFSJSA-N
Associated Targets(Human)
Melanocortin receptor 5 4283 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: 610.82 | Molecular Weight (Monoisotopic): 610.3683 | AlogP: 6.05 | #Rotatable Bonds: 13 |
| Polar Surface Area: 73.47 | Molecular Species: BASE | HBA: 4 | HBD: 3 |
| #RO5 Violations: 2 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: | CX Basic pKa: 10.63 | CX LogP: 6.13 | CX LogD: 2.88 |
| Aromatic Rings: 3 | Heavy Atoms: 45 | QED Weighted: 0.16 | Np Likeness Score: -0.24 |
References
| 1. (2016) Methods of modulating the activity of the MC5 receptor and treatment of conditions related to this receptor, |
Source
Source(1):