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CATHINONE
ID: ALA2104047
Max Phase: Phase
Molecular Formula: C9H11NO
Molecular Weight: 149.19
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (6): Cathinone (incb:green list) | D-cathinone | Norephedrone | S-(-)-cathinone | C08301 | J18.754B
Synonyms from Alternative Forms(6):
Canonical SMILES: C[C@H](N)C(=O)c1ccccc1
Standard InChI: InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3/t7-/m0/s1
Standard InChI Key: PUAQLLVFLMYYJJ-ZETCQYMHSA-N
Associated Targets(Human)
Glutaminase kidney isoform, mitochondrial 16997 Activities
Whole blood 398 Activities
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Associated Targets(non-human)
Serotonin (5-HT) receptor 353 Activities
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Rattus norvegicus 775804 Activities
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Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: Yes | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 149.19 | Molecular Weight (Monoisotopic): 149.0841 | AlogP: 1.22 | #Rotatable Bonds: 2 |
| Polar Surface Area: 43.09 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.55 | CX LogP: 1.18 | CX LogD: 0.79 |
| Aromatic Rings: 1 | Heavy Atoms: 11 | QED Weighted: 0.64 | Np Likeness Score: -0.08 |
References
| 1. Glennon RA, Liebowitz SM, Anderson GM.. (1980) Serotonin receptor affinities of psychoactive phenalkylamine analogues., 23 (3): [PMID:7365744] [10.1021/jm00177a017] |
| 2. USP Dictionary of USAN and International Names (2010 edition) and USAN registrations 2007-date, |
| 3. PubChem BioAssay data set, |
| 4. Noorizadeh H, Noorizadeh M, Farmany A. (2012) Advanced QSRR models of toxicological screening of basic drugs in whole blood by UPLC-TOFMS, 21 (12): [10.1007/s00044-012-9977-1] |
| 5. Glennon RA.. (2017) The 2014 Philip S. Portoghese Medicinal Chemistry Lectureship: The "Phenylalkylaminome" with a Focus on Selected Drugs of Abuse., 60 (7): [PMID:28244748] [10.1021/acs.jmedchem.7b00085] |
Source
Source(3):