| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5198560
Max Phase: Preclinical
Molecular Formula: C26H24N3O2+
Molecular Weight: 410.50
Associated Items:
Representations
Canonical SMILES: C[n+]1c2ccccc2c(NCC(=O)[C@@H](N)Cc2ccccc2)c2oc3ccccc3c21
Standard InChI: InChI=1S/C26H23N3O2/c1-29-21-13-7-5-11-18(21)24(26-25(29)19-12-6-8-14-23(19)31-26)28-16-22(30)20(27)15-17-9-3-2-4-10-17/h2-14,20H,15-16,27H2,1H3/p+1/t20-/m0/s1
Standard InChI Key: HNUQEJNSHMMBRZ-FQEVSTJZSA-O
Associated Targets(Human)
quadruplex DNA 2700 Activities
Telomerase reverse transcriptase 2428 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: 410.50 | Molecular Weight (Monoisotopic): 410.1863 | AlogP: 4.11 | #Rotatable Bonds: 6 |
| Polar Surface Area: 72.14 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.31 | CX LogP: -0.38 | CX LogD: -0.64 |
| Aromatic Rings: 5 | Heavy Atoms: 31 | QED Weighted: 0.41 | Np Likeness Score: 0.25 |
References
| 1. Mendes E, Bahls B, Aljnadi IM, Paulo A.. (2022) Indoloquinolines as scaffolds for the design of potent G-quadruplex ligands., 72 [PMID:35716866] [10.1016/j.bmcl.2022.128862] |
Source
Source(1):