| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3899652
Max Phase: Preclinical
Molecular Formula: C24H16F4N6O3
Molecular Weight: 512.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1NCc2c(Oc3ccc(NC(=O)c4cnn(-c5ccccc5)c4C(F)(F)F)cc3F)ccnc2N1
Standard InChI: InChI=1S/C24H16F4N6O3/c25-17-10-13(6-7-19(17)37-18-8-9-29-21-15(18)11-30-23(36)33-21)32-22(35)16-12-31-34(20(16)24(26,27)28)14-4-2-1-3-5-14/h1-10,12H,11H2,(H,32,35)(H2,29,30,33,36)
Standard InChI Key: NDMHWVQYGCWZAS-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: 512.42 | Molecular Weight (Monoisotopic): 512.1220 | AlogP: 5.10 | #Rotatable Bonds: 5 |
| Polar Surface Area: 110.17 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 2 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 11.56 | CX Basic pKa: 4.46 | CX LogP: 3.85 | CX LogD: 3.85 |
| Aromatic Rings: 4 | Heavy Atoms: 37 | QED Weighted: 0.32 | Np Likeness Score: -1.60 |
References
| 1. (2016) Pyrido-pyrimidine derivatives, |
Source
Source(1):