| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3609808
Max Phase: Preclinical
Molecular Formula: C29H21FN6O2S
Molecular Weight: 536.59
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cn1cnc(-c2cc3nccc(Oc4ccc(N5CCc6c(cnn6-c6ccccc6)C5=O)cc4F)c3s2)c1
Standard InChI: InChI=1S/C29H21FN6O2S/c1-34-16-23(32-17-34)27-14-22-28(39-27)26(9-11-31-22)38-25-8-7-19(13-21(25)30)35-12-10-24-20(29(35)37)15-33-36(24)18-5-3-2-4-6-18/h2-9,11,13-17H,10,12H2,1H3
Standard InChI Key: ZRZMXDFMUVZMFF-UHFFFAOYSA-N
Associated Targets(Human)
Macrophage-stimulating protein receptor 2327 Activities
Hepatocyte growth factor receptor 10718 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 536.59 | Molecular Weight (Monoisotopic): 536.1431 | AlogP: 6.02 | #Rotatable Bonds: 5 |
| Polar Surface Area: 78.07 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 0 |
| #RO5 Violations: 2 | HBA (Lipinski): 8 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: | CX Basic pKa: 5.27 | CX LogP: 4.57 | CX LogD: 4.57 |
| Aromatic Rings: 6 | Heavy Atoms: 39 | QED Weighted: 0.27 | Np Likeness Score: -1.41 |
References
| 1. Raeppel SL, Therrien E, Raeppel F.. (2015) Design and synthesis of constrained analogs of LCRF-0004 as potent RON tyrosine kinase inhibitors., 25 (17): [PMID:26112445] [10.1016/j.bmcl.2015.06.034] |
Source
Source(1):