| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5208472
Max Phase: Preclinical
Molecular Formula: C25H26F2N6O2
Molecular Weight: 480.52
Associated Items:
Representations
Canonical SMILES: Cc1nc2c(cc1-c1ncccn1)CC[C@@]1(CCN(C(=O)[C@H](C)c3ccc(OC(F)F)nc3)C1)N2
Standard InChI: InChI=1S/C25H26F2N6O2/c1-15(18-4-5-20(30-13-18)35-24(26)27)23(34)33-11-8-25(14-33)7-6-17-12-19(16(2)31-21(17)32-25)22-28-9-3-10-29-22/h3-5,9-10,12-13,15,24H,6-8,11,14H2,1-2H3,(H,31,32)/t15-,25+/m1/s1
Standard InChI Key: WPKUZQXLQKEKKU-BZQUYTCOSA-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: 480.52 | Molecular Weight (Monoisotopic): 480.2085 | AlogP: 3.98 | #Rotatable Bonds: 5 |
| Polar Surface Area: 93.13 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.53 | CX LogP: 3.42 | CX LogD: 3.37 |
| Aromatic Rings: 3 | Heavy Atoms: 35 | QED Weighted: 0.59 | Np Likeness Score: -1.02 |
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):