| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2143660
Max Phase: Preclinical
Molecular Formula: C18H30N4O4
Molecular Weight: 366.46
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCn1c(N)c(N(CCC(C)C)C(=O)C2CCCO2)c(=O)[nH]c1=O
Standard InChI: InChI=1S/C18H30N4O4/c1-4-5-9-22-15(19)14(16(23)20-18(22)25)21(10-8-12(2)3)17(24)13-7-6-11-26-13/h12-13H,4-11,19H2,1-3H3,(H,20,23,25)
Standard InChI Key: YWFIIMAPZJNKKF-UHFFFAOYSA-N
Associated Targets(Human)
Transcriptional regulator ERG 5589 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: 366.46 | Molecular Weight (Monoisotopic): 366.2267 | AlogP: 1.48 | #Rotatable Bonds: 8 |
| Polar Surface Area: 110.42 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.20 | CX Basic pKa: | CX LogP: 1.40 | CX LogD: 1.40 |
| Aromatic Rings: 1 | Heavy Atoms: 26 | QED Weighted: 0.72 | Np Likeness Score: -1.27 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):