| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5189093
Max Phase: Preclinical
Molecular Formula: C25H25Cl2N5O
Molecular Weight: 482.42
Associated Items:
Representations
Canonical SMILES: Cc1nc2c(cc1-c1ncccn1)CC[C@@]1(CCN(C(=O)C(C)c3ccc(Cl)cc3Cl)C1)N2
Standard InChI: InChI=1S/C25H25Cl2N5O/c1-15(19-5-4-18(26)13-21(19)27)24(33)32-11-8-25(14-32)7-6-17-12-20(16(2)30-22(17)31-25)23-28-9-3-10-29-23/h3-5,9-10,12-13,15H,6-8,11,14H2,1-2H3,(H,30,31)/t15?,25-/m0/s1
Standard InChI Key: VZTUMDUYTOPWBW-RZNFBWOTSA-N
Associated Targets(Human)
Melanocortin receptor 4 10016 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 482.42 | Molecular Weight (Monoisotopic): 481.1436 | AlogP: 5.29 | #Rotatable Bonds: 3 |
| Polar Surface Area: 71.01 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 6.53 | CX LogP: 4.55 | CX LogD: 4.50 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.55 | Np Likeness Score: -0.77 |
References
| 1. Rosse G.. (2022) Spiro-naphthyridine Antagonists of the Melanocortin Receptor 4 for the Treatment of Cachexia Associated with Chronic Illness., 13 (7.0): [PMID:35859877] [10.1021/acsmedchemlett.2c00229] |
Source
Source(1):