| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3983150
Max Phase: Preclinical
Molecular Formula: C38H44N4O2
Molecular Weight: 588.80
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(NCC[C@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)[C@@H](CCN2CCCC2)N1)c1ccc2ccccc2c1
Standard InChI: InChI=1S/C38H44N4O2/c43-37(33-18-17-29-11-7-8-16-32(29)27-33)39-22-19-34-20-26-42(38(44)36(40-34)21-25-41-23-9-10-24-41)28-35(30-12-3-1-4-13-30)31-14-5-2-6-15-31/h1-8,11-18,27,34-36,40H,9-10,19-26,28H2,(H,39,43)/t34-,36+/m0/s1
Standard InChI Key: FJJQFRFHGDPGKD-PUDHBBIYSA-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: 588.80 | Molecular Weight (Monoisotopic): 588.3464 | AlogP: 5.84 | #Rotatable Bonds: 11 |
| Polar Surface Area: 64.68 | Molecular Species: BASE | HBA: 4 | HBD: 2 |
| #RO5 Violations: 2 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: | CX Basic pKa: 9.16 | CX LogP: 5.01 | CX LogD: 3.22 |
| Aromatic Rings: 4 | Heavy Atoms: 44 | QED Weighted: 0.23 | Np Likeness Score: -0.43 |
References
| 1. (2016) Methods of modulating the activity of the MC5 receptor and treatment of conditions related to this receptor, |
Source
Source(1):