| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4542515
Max Phase: Preclinical
Molecular Formula: C29H22ClFN4O5
Molecular Weight: 560.97
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cc(OC)cc(-n2c(=O)c(C(=O)Nc3ccc(Oc4ccnc(N)c4Cl)c(F)c3)cc3ccccc32)c1
Standard InChI: InChI=1S/C29H22ClFN4O5/c1-38-19-13-18(14-20(15-19)39-2)35-23-6-4-3-5-16(23)11-21(29(35)37)28(36)34-17-7-8-24(22(31)12-17)40-25-9-10-33-27(32)26(25)30/h3-15H,1-2H3,(H2,32,33)(H,34,36)
Standard InChI Key: HAAKBQYVERMZME-UHFFFAOYSA-N
Associated Targets(Human)
Hepatocyte growth factor receptor 10718 Activities
EBC-1 148 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: Unknown | 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: 560.97 | Molecular Weight (Monoisotopic): 560.1263 | AlogP: 5.82 | #Rotatable Bonds: 7 |
| Polar Surface Area: 117.70 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 2 |
| #RO5 Violations: 2 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 13.13 | CX Basic pKa: 5.97 | CX LogP: 4.62 | CX LogD: 4.61 |
| Aromatic Rings: 5 | Heavy Atoms: 40 | QED Weighted: 0.26 | Np Likeness Score: -1.22 |
References
| 1. Cui H, Peng X, Liu J, Ma C, Ji Y, Zhang W, Geng M, Li Y.. (2016) Design, synthesis and biological evaluation of c-Met kinase inhibitors bearing 2-oxo-1,2-dihydroquinoline scaffold., 26 (18): [PMID:27524312] [10.1016/j.bmcl.2016.07.077] |
Source
Source(1):