| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5174958
Max Phase: Preclinical
Molecular Formula: C26H29N9O2
Molecular Weight: 499.58
Associated Items:
Representations
Canonical SMILES: O=c1ccc(-c2cccnc2)nn1CC1CN(c2ncc(-c3cnn(C4CCNCC4)c3)cn2)CCO1
Standard InChI: InChI=1S/C26H29N9O2/c36-25-4-3-24(19-2-1-7-28-12-19)32-35(25)18-23-17-33(10-11-37-23)26-29-13-20(14-30-26)21-15-31-34(16-21)22-5-8-27-9-6-22/h1-4,7,12-16,22-23,27H,5-6,8-11,17-18H2
Standard InChI Key: KCVROOBNYZLDFN-UHFFFAOYSA-N
Associated Targets(Human)
Hepatocyte growth factor receptor 10718 Activities
Hs746T 53 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: 499.58 | Molecular Weight (Monoisotopic): 499.2444 | AlogP: 1.79 | #Rotatable Bonds: 6 |
| Polar Surface Area: 115.88 | Molecular Species: BASE | HBA: 11 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 11 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 10.12 | CX LogP: 0.59 | CX LogD: -2.02 |
| Aromatic Rings: 4 | Heavy Atoms: 37 | QED Weighted: 0.42 | Np Likeness Score: -1.56 |
References
| 1. He ZX, Gong YP, Zhang X, Ma LY, Zhao W.. (2021) Pyridazine as a privileged structure: An updated review on anticancer activity of pyridazine containing bioactive molecules., 209 [PMID:33129590] [10.1016/j.ejmech.2020.112946] |
Source
Source(1):