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SID7977502
ID: ALA1484388
Chembl Id: CHEMBL1484388
PubChem CID: 2837886
Max Phase: Preclinical
Molecular Formula: C19H31N3O
Molecular Weight: 317.48
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Canonical SMILES: CCN(CC)C(=O)C1CCCN(Cc2ccc(N(C)C)cc2)C1
Standard InChI: InChI=1S/C19H31N3O/c1-5-22(6-2)19(23)17-8-7-13-21(15-17)14-16-9-11-18(12-10-16)20(3)4/h9-12,17H,5-8,13-15H2,1-4H3
Standard InChI Key: KJOMMTWHMFNFFY-UHFFFAOYSA-N
Associated Targets(Human)
Associated Targets(non-human)
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 |
|---|
Calculated Properties
| Molecular Weight: 317.48 | Molecular Weight (Monoisotopic): 317.2467 | AlogP: 2.83 | #Rotatable Bonds: 6 |
| Polar Surface Area: 26.79 | Molecular Species: BASE | HBA: 3 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 9.08 | CX LogP: 2.61 | CX LogD: 0.93 |
| Aromatic Rings: 1 | Heavy Atoms: 23 | QED Weighted: 0.81 | Np Likeness Score: -1.68 |
References
| 1. PubChem BioAssay data set, |
