| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4458142
Max Phase: Preclinical
Molecular Formula: C27H16Cl3FN4O3
Molecular Weight: 569.81
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Nc1nccc(Oc2ccc(NC(=O)c3cc4ccccc4n(-c4cc(Cl)cc(Cl)c4)c3=O)cc2F)c1Cl
Standard InChI: InChI=1S/C27H16Cl3FN4O3/c28-15-10-16(29)12-18(11-15)35-21-4-2-1-3-14(21)9-19(27(35)37)26(36)34-17-5-6-22(20(31)13-17)38-23-7-8-33-25(32)24(23)30/h1-13H,(H2,32,33)(H,34,36)
Standard InChI Key: WJSFXKRGEGZUET-UHFFFAOYSA-N
Associated Targets(Human)
EBC-1 148 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: 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: 569.81 | Molecular Weight (Monoisotopic): 568.0272 | AlogP: 7.11 | #Rotatable Bonds: 5 |
| Polar Surface Area: 99.24 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 2 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 13.13 | CX Basic pKa: 5.97 | CX LogP: 6.14 | CX LogD: 6.13 |
| Aromatic Rings: 5 | Heavy Atoms: 38 | QED Weighted: 0.23 | Np Likeness Score: -1.40 |
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):