| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3985356
Max Phase: Preclinical
Molecular Formula: C30H44N4O2
Molecular Weight: 492.71
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCC(CC)CN1CC[C@H](CNC(=O)c2ccc3ccccc3c2)N[C@H](CCN2CCCCC2)C1=O
Standard InChI: InChI=1S/C30H44N4O2/c1-3-23(4-2)22-34-19-14-27(32-28(30(34)36)15-18-33-16-8-5-9-17-33)21-31-29(35)26-13-12-24-10-6-7-11-25(24)20-26/h6-7,10-13,20,23,27-28,32H,3-5,8-9,14-19,21-22H2,1-2H3,(H,31,35)/t27-,28-/m1/s1
Standard InChI Key: DTOOUBDUVXWTKR-VSGBNLITSA-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: 492.71 | Molecular Weight (Monoisotopic): 492.3464 | AlogP: 4.44 | #Rotatable Bonds: 10 |
| Polar Surface Area: 64.68 | Molecular Species: BASE | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.03 | CX LogP: 4.01 | CX LogD: 2.38 |
| Aromatic Rings: 2 | Heavy Atoms: 36 | QED Weighted: 0.51 | Np Likeness Score: -0.40 |
References
| 1. (2016) Methods of modulating the activity of the MC5 receptor and treatment of conditions related to this receptor, |
Source
Source(1):