| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5169980
Max Phase: Preclinical
Molecular Formula: C11H11IN4O5
Molecular Weight: 406.14
Associated Items:
Representations
Canonical SMILES: Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H]1O
Standard InChI: InChI=1S/C11H11IN4O5/c12-3-1-16(9-4(3)8(13)14-2-15-9)10-6(18)5(17)7(21-10)11(19)20/h1-2,5-7,10,17-18H,(H,19,20)(H2,13,14,15)/t5-,6+,7-,10+/m0/s1
Standard InChI Key: YQMPDCWPJYMOPN-HEZDBXPZSA-N
Associated Targets(Human)
Serine/threonine-protein kinase haspin 906 Activities
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: 406.14 | Molecular Weight (Monoisotopic): 405.9774 | AlogP: -0.68 | #Rotatable Bonds: 2 |
| Polar Surface Area: 143.72 | Molecular Species: ACID | HBA: 8 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.69 | CX Basic pKa: 6.77 | CX LogP: -2.23 | CX LogD: -2.87 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.48 | Np Likeness Score: 0.77 |
References
| 1. Lee S, Kim J, Jo J, Chang JW, Sim J, Yun H.. (2021) Recent advances in development of hetero-bivalent kinase inhibitors., 216 [PMID:33730624] [10.1016/j.ejmech.2021.113318] |
Source
Source(1):