ID: ALA1285
Max Phase: Preclinical
Molecular Formula: C13H15NO3
Molecular Weight: 233.27
Molecule Type: Small molecule
Associated Items:
Synonyms (1): P-Hydroxyglutethimide
Synonyms from Alternative Forms(1):
Canonical SMILES: CCC1(c2ccc(O)cc2)CCC(=O)NC1=O
Standard InChI: InChI=1S/C13H15NO3/c1-2-13(8-7-11(16)14-12(13)17)9-3-5-10(15)6-4-9/h3-6,15H,2,7-8H2,1H3,(H,14,16,17)
Standard InChI Key: LJYPZSQFNJDVIO-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 233.27 | Molecular Weight (Monoisotopic): 233.1052 | AlogP: 1.48 | #Rotatable Bonds: 2 |
| Polar Surface Area: 66.40 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.49 | CX Basic pKa: | CX LogP: 1.82 | CX LogD: 1.82 |
| Aromatic Rings: 1 | Heavy Atoms: 17 | QED Weighted: 0.76 | Np Likeness Score: 0.40 |
| 1. Foster AB, Jarman M, Leung CS, Rowlands MG, Taylor GN.. (1983) Analogues of aminoglutethimide: selective inhibition of cholesterol side-chain cleavage., 26 (1): [PMID:6827528] [10.1021/jm00355a011] |
Source(1):
