| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5282538
Max Phase: Preclinical
Molecular Formula: C34H37FN6O4S
Molecular Weight: 644.77
Associated Items:
Representations
Canonical SMILES: COc1cc2c(Oc3ccc(NC(=O)Nc4nc5c(C)ccc(C)c5s4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Standard InChI: InChI=1S/C34H37FN6O4S/c1-21-6-7-22(2)32-31(21)38-34(46-32)39-33(42)37-23-8-9-28(25(35)18-23)45-27-10-11-36-26-20-30(29(43-4)19-24(26)27)44-17-5-12-41-15-13-40(3)14-16-41/h6-11,18-20H,5,12-17H2,1-4H3,(H2,37,38,39,42)
Standard InChI Key: HCFQGEBJNFKRJB-UHFFFAOYSA-N
Associated Targets(Human)
MKN-45 2102 Activities
Hepatocyte growth factor receptor 10718 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 644.77 | Molecular Weight (Monoisotopic): 644.2581 | AlogP: 7.06 | #Rotatable Bonds: 10 |
| Polar Surface Area: 101.08 | Molecular Species: NEUTRAL | HBA: 9 | HBD: 2 |
| #RO5 Violations: 2 | HBA (Lipinski): 10 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 7.37 | CX Basic pKa: 7.28 | CX LogP: 5.45 | CX LogD: 5.39 |
| Aromatic Rings: 5 | Heavy Atoms: 46 | QED Weighted: 0.16 | Np Likeness Score: -1.68 |
References
| 1. Parikh PK, Ghate MD.. (2018) Recent advances in the discovery of small molecule c-Met Kinase inhibitors., 143 [PMID:29157685] [10.1016/j.ejmech.2017.08.044] |
Source
Source(1):