| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3656869
Max Phase: Preclinical
Molecular Formula: C26H34ClFN6O
Molecular Weight: 501.05
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCN[C@H]1CC[C@H](Nc2cc(-c3ccc(F)c(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1
Standard InChI: InChI=1S/C26H34ClFN6O/c1-2-11-30-18-3-5-19(6-4-18)33-24-14-20(21(27)15-31-24)23-8-7-22(28)25(34-23)32-17-26(16-29)9-12-35-13-10-26/h7-8,14-15,18-19,30H,2-6,9-13,17H2,1H3,(H,31,33)(H,32,34)/t18-,19-
Standard InChI Key: DXWKCBDYFCIUGT-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: 501.05 | Molecular Weight (Monoisotopic): 500.2467 | AlogP: 5.39 | #Rotatable Bonds: 9 |
| Polar Surface Area: 94.89 | Molecular Species: BASE | HBA: 7 | HBD: 3 |
| #RO5 Violations: 2 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: | CX Basic pKa: 10.92 | CX LogP: 4.12 | CX LogD: 1.06 |
| Aromatic Rings: 2 | Heavy Atoms: 35 | QED Weighted: 0.42 | Np Likeness Score: -1.02 |
References
| 1. (2014) Heteroaryl compounds and their uses, |
Source
Source(1):