| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5219600
Max Phase: Preclinical
Molecular Formula: C16H22N6O2
Molecular Weight: 330.39
Associated Items:
Representations
Canonical SMILES: Cc1nc(NC(=N)NCCCN(C)CC(=O)O)nc2ccccc12
Standard InChI: InChI=1S/C16H22N6O2/c1-11-12-6-3-4-7-13(12)20-16(19-11)21-15(17)18-8-5-9-22(2)10-14(23)24/h3-4,6-7H,5,8-10H2,1-2H3,(H,23,24)(H3,17,18,19,20,21)
Standard InChI Key: MMOLCKDEACSCHS-UHFFFAOYSA-N
Associated Targets(Human)
Premature termination codon 106 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: 330.39 | Molecular Weight (Monoisotopic): 330.1804 | AlogP: 1.28 | #Rotatable Bonds: 7 |
| Polar Surface Area: 114.23 | Molecular Species: ZWITTERION | HBA: 5 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.41 | CX Basic pKa: 9.22 | CX LogP: -1.70 | CX LogD: -1.98 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.34 | Np Likeness Score: -1.22 |
References
| 1. Morrill C, Friesen WJ, Babu S, Baiazitov RY, Du W, Karloff DB, Lee CS, Moon YC, Ren H, Sierra J, Tomizawa Y, Vazirani P, Welch EM, Xue X, Zhuo J.. (2022) Guanidino quinazolines and pyrimidines promote readthrough of premature termination codons in cells with native nonsense mutations., 76 [PMID:36150638] [10.1016/j.bmcl.2022.128989] |
Source
Source(1):