| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3656879
Max Phase: Preclinical
Molecular Formula: C25H33ClN6O
Molecular Weight: 469.03
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1
Standard InChI: InChI=1S/C25H33ClN6O/c1-32(2)19-8-6-18(7-9-19)30-24-14-20(21(26)15-28-24)22-4-3-5-23(31-22)29-17-25(16-27)10-12-33-13-11-25/h3-5,14-15,18-19H,6-13,17H2,1-2H3,(H,28,30)(H,29,31)/t18-,19-
Standard InChI Key: IKTJCKZXQBIYHS-WGSAOQKQSA-N
Associated Targets(Human)
Cyclin T1 379 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 469.03 | Molecular Weight (Monoisotopic): 468.2404 | AlogP: 4.81 | #Rotatable Bonds: 7 |
| Polar Surface Area: 86.10 | Molecular Species: BASE | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.21 | CX LogP: 3.48 | CX LogD: 0.75 |
| Aromatic Rings: 2 | Heavy Atoms: 33 | QED Weighted: 0.60 | Np Likeness Score: -1.20 |
References
| 1. (2014) Heteroaryl compounds and their uses, |
Source
Source(1):