| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3919424
Max Phase: Preclinical
Molecular Formula: C27H23FN6O4
Molecular Weight: 514.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c2)cnn1-c1cncnc1
Standard InChI: InChI=1S/C27H23FN6O4/c1-4-22-19(14-32-34(22)17-12-29-15-30-13-17)27(35)33-16-5-6-24(20(28)9-16)38-23-7-8-31-21-11-26(37-3)25(36-2)10-18(21)23/h5-15H,4H2,1-3H3,(H,33,35)
Standard InChI Key: LKMPGZDUBRWDQK-UHFFFAOYSA-N
Associated Targets(Human)
Macrophage-stimulating protein receptor 2327 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: 514.52 | Molecular Weight (Monoisotopic): 514.1765 | AlogP: 4.97 | #Rotatable Bonds: 8 |
| Polar Surface Area: 113.28 | Molecular Species: NEUTRAL | HBA: 9 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 10 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 5.83 | CX LogP: 3.43 | CX LogD: 3.42 |
| Aromatic Rings: 5 | Heavy Atoms: 38 | QED Weighted: 0.31 | Np Likeness Score: -1.55 |
References
| 1. (2016) Quinoline inhibitor of the macrophage stimulating 1 receptor MSTR1, |
Source
Source(1):