| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5173814
Max Phase: Preclinical
Molecular Formula: C23H29N4+
Molecular Weight: 361.51
Associated Items:
Representations
Canonical SMILES: CCN(CC)CCCNc1ccc2c(c1)[nH]c1c2c[n+](C)c2ccccc12
Standard InChI: InChI=1S/C23H28N4/c1-4-27(5-2)14-8-13-24-17-11-12-18-20-16-26(3)22-10-7-6-9-19(22)23(20)25-21(18)15-17/h6-7,9-12,15-16,24H,4-5,8,13-14H2,1-3H3/p+1
Standard InChI Key: VKUYOKFLOYAEMG-UHFFFAOYSA-O
Associated Targets(Human)
dsDNA 365 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: 361.51 | Molecular Weight (Monoisotopic): 361.2387 | AlogP: 4.44 | #Rotatable Bonds: 7 |
| Polar Surface Area: 34.94 | Molecular Species: BASE | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.92 | CX Basic pKa: 9.94 | CX LogP: -0.79 | CX LogD: -3.28 |
| Aromatic Rings: 4 | Heavy Atoms: 27 | QED Weighted: 0.38 | Np Likeness Score: -0.46 |
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):