| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4526267
Max Phase: Preclinical
Molecular Formula: C38H44N10O2
Molecular Weight: 672.84
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(CCN1CCCCC1)Nc1ccc(-n2cc(-c3cccc(-c4cn(-c5ccc(NC(=O)CCN6CCCCC6)cc5)nn4)c3)nn2)cc1
Standard InChI: InChI=1S/C38H44N10O2/c49-37(18-24-45-20-3-1-4-21-45)39-31-10-14-33(15-11-31)47-27-35(41-43-47)29-8-7-9-30(26-29)36-28-48(44-42-36)34-16-12-32(13-17-34)40-38(50)19-25-46-22-5-2-6-23-46/h7-17,26-28H,1-6,18-25H2,(H,39,49)(H,40,50)
Standard InChI Key: PLJANQGCTXHSJX-UHFFFAOYSA-N
Associated Targets(Human)
Telomerase reverse transcriptase 2428 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 672.84 | Molecular Weight (Monoisotopic): 672.3649 | AlogP: 5.81 | #Rotatable Bonds: 12 |
| Polar Surface Area: 126.10 | Molecular Species: BASE | HBA: 10 | HBD: 2 |
| #RO5 Violations: 2 | HBA (Lipinski): 12 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 3 |
| CX Acidic pKa: | CX Basic pKa: 9.63 | CX LogP: 5.88 | CX LogD: 2.03 |
| Aromatic Rings: 5 | Heavy Atoms: 50 | QED Weighted: 0.17 | Np Likeness Score: -1.19 |
References
| 1. Prasher P, Sharma M.. (2019) Tailored therapeutics based on 1,2,3-1H-triazoles: a mini review., 10 (8): [PMID:31534652] [10.1039/C9MD00218A] |
Source
Source(1):