| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2145363
Max Phase: Preclinical
Molecular Formula: C19H29N3O
Molecular Weight: 315.46
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(NC1CCCCC1)N1CCN(CCc2ccccc2)CC1
Standard InChI: InChI=1S/C19H29N3O/c23-19(20-18-9-5-2-6-10-18)22-15-13-21(14-16-22)12-11-17-7-3-1-4-8-17/h1,3-4,7-8,18H,2,5-6,9-16H2,(H,20,23)
Standard InChI Key: CDRFBLQWHLTIIB-UHFFFAOYSA-N
Associated Targets(Human)
Geminin 128009 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: 315.46 | Molecular Weight (Monoisotopic): 315.2311 | AlogP: 2.89 | #Rotatable Bonds: 4 |
| Polar Surface Area: 35.58 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.32 | CX LogP: 2.97 | CX LogD: 2.70 |
| Aromatic Rings: 1 | Heavy Atoms: 23 | QED Weighted: 0.93 | Np Likeness Score: -1.37 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):