| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3986770
Max Phase: Preclinical
Molecular Formula: C21H22Cl4N4O2
Molecular Weight: 504.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NC[C@@H]1N[C@H](CNC(=O)c2ccc(Cl)c(Cl)c2)CCN(Cc2cc(Cl)cc(Cl)c2)C1=O
Standard InChI: InChI=1S/C21H22Cl4N4O2/c22-14-5-12(6-15(23)8-14)11-29-4-3-16(28-19(9-26)21(29)31)10-27-20(30)13-1-2-17(24)18(25)7-13/h1-2,5-8,16,19,28H,3-4,9-11,26H2,(H,27,30)/t16-,19-/m0/s1
Standard InChI Key: PCFLAUAVIGOSHR-LPHOPBHVSA-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: 504.25 | Molecular Weight (Monoisotopic): 502.0497 | AlogP: 3.75 | #Rotatable Bonds: 6 |
| Polar Surface Area: 87.46 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 8.32 | CX LogP: 3.31 | CX LogD: 2.34 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.56 | Np Likeness Score: -0.94 |
References
| 1. (2016) Methods of modulating the activity of the MC5 receptor and treatment of conditions related to this receptor, |
Source
Source(1):