| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3983098
Max Phase: Preclinical
Molecular Formula: C34H43ClN4O2
Molecular Weight: 575.20
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC[C@@H](CN1CC[C@H](CNC(=O)c2ccc3cc(Cl)ccc3c2)N[C@H](CCN2CCCCC2)C1=O)c1ccccc1
Standard InChI: InChI=1S/C34H43ClN4O2/c1-2-25(26-9-5-3-6-10-26)24-39-20-15-31(37-32(34(39)41)16-19-38-17-7-4-8-18-38)23-36-33(40)29-12-11-28-22-30(35)14-13-27(28)21-29/h3,5-6,9-14,21-22,25,31-32,37H,2,4,7-8,15-20,23-24H2,1H3,(H,36,40)/t25-,31+,32+/m0/s1
Standard InChI Key: PLXBZRBLWZSFDH-JYJPFYCCSA-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: 575.20 | Molecular Weight (Monoisotopic): 574.3075 | AlogP: 5.85 | #Rotatable Bonds: 10 |
| 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: 9.03 | CX LogP: 5.31 | CX LogD: 3.67 |
| Aromatic Rings: 3 | Heavy Atoms: 41 | QED Weighted: 0.32 | Np Likeness Score: -0.57 |
References
| 1. (2016) Methods of modulating the activity of the MC5 receptor and treatment of conditions related to this receptor, |
Source
Source(1):