| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3931180
Max Phase: Preclinical
Molecular Formula: C24H19FN6O3
Molecular Weight: 458.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1c(C(=O)Nc2ccc(Oc3ccnc4c3CNC(=O)N4)c(F)c2)cnn1-c1ccccc1
Standard InChI: InChI=1S/C24H19FN6O3/c1-14-17(13-28-31(14)16-5-3-2-4-6-16)23(32)29-15-7-8-21(19(25)11-15)34-20-9-10-26-22-18(20)12-27-24(33)30-22/h2-11,13H,12H2,1H3,(H,29,32)(H2,26,27,30,33)
Standard InChI Key: IEUZMGFDZGWUSU-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: 458.45 | Molecular Weight (Monoisotopic): 458.1503 | AlogP: 4.39 | #Rotatable Bonds: 5 |
| Polar Surface Area: 110.17 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.57 | CX Basic pKa: 4.46 | CX LogP: 3.25 | CX LogD: 3.25 |
| Aromatic Rings: 4 | Heavy Atoms: 34 | QED Weighted: 0.41 | Np Likeness Score: -1.67 |
References
| 1. (2016) Pyrido-pyrimidine derivatives, |
Source
Source(1):