| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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PIMECLONE
ID: ALA2005520
Max Phase: Phase
Molecular Formula: C12H21NO
Molecular Weight: 195.31
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (2): NA-66 | NU-582
Synonyms from Alternative Forms(2):
Canonical SMILES: O=C1CCCCC1CN1CCCCC1
Standard InChI: InChI=1S/C12H21NO/c14-12-7-3-2-6-11(12)10-13-8-4-1-5-9-13/h11H,1-10H2
Standard InChI Key: PRFPQYGTPKDLHJ-UHFFFAOYSA-N
Associated Targets(Human)
Tyrosyl-DNA phosphodiesterase 1 345557 Activities
Associated Targets(non-human)
Peripheral myelin protein 22 1279 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 195.31 | Molecular Weight (Monoisotopic): 195.1623 | AlogP: 2.23 | #Rotatable Bonds: 2 |
| Polar Surface Area: 20.31 | Molecular Species: BASE | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.40 | CX LogP: 2.31 | CX LogD: 0.32 |
| Aromatic Rings: 0 | Heavy Atoms: 14 | QED Weighted: 0.67 | Np Likeness Score: -0.40 |
References
| 1. PubChem BioAssay data set, |
| 2. USP Dictionary of USAN and International Names (2010 edition) and USAN registrations 2007-date, |
| 3. PubChem BioAssay data set, |
Source
Source(2):