| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3656875
Max Phase: Preclinical
Molecular Formula: C26H38ClN5O3
Molecular Weight: 504.08
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COCCN[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4(CO)CCOCC4)n3)c(Cl)cn2)CC1
Standard InChI: InChI=1S/C26H38ClN5O3/c1-34-14-11-28-19-5-7-20(8-6-19)31-25-15-21(22(27)16-29-25)23-3-2-4-24(32-23)30-17-26(18-33)9-12-35-13-10-26/h2-4,15-16,19-20,28,33H,5-14,17-18H2,1H3,(H,29,31)(H,30,32)/t19-,20-
Standard InChI Key: UVWSWBYJPMXGEG-MXVIHJGJSA-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: 504.08 | Molecular Weight (Monoisotopic): 503.2663 | AlogP: 3.96 | #Rotatable Bonds: 11 |
| Polar Surface Area: 100.56 | Molecular Species: BASE | HBA: 8 | HBD: 4 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 10.09 | CX LogP: 2.52 | CX LogD: -0.07 |
| Aromatic Rings: 2 | Heavy Atoms: 35 | QED Weighted: 0.34 | Np Likeness Score: -0.89 |
References
| 1. (2014) Heteroaryl compounds and their uses, |
Source
Source(1):