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ETHYL LANOSOL
ID: ALA463140
Max Phase: Preclinical
Molecular Formula: C9H10Br2O3
Molecular Weight: 325.98
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Ethyl Lanosol
Synonyms from Alternative Forms(1):
Canonical SMILES: CCOCc1cc(O)c(O)c(Br)c1Br
Standard InChI: InChI=1S/C9H10Br2O3/c1-2-14-4-5-3-6(12)9(13)8(11)7(5)10/h3,12-13H,2,4H2,1H3
Standard InChI Key: KEOOZBGAPIEERQ-UHFFFAOYSA-N
Associated Targets(Human)
DLD-1 17511 Activities
HCT-116 91556 Activities
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Tyrosine-protein kinase FYN 5308 Activities
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Tyrosine-protein kinase ABL 18331 Activities
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Proto-oncogene C-crk 18 Activities
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Growth factor receptor-bound protein 2 663 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: No | 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: 325.98 | Molecular Weight (Monoisotopic): 323.8997 | AlogP: 3.16 | #Rotatable Bonds: 3 |
| Polar Surface Area: 49.69 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.52 | CX Basic pKa: | CX LogP: 3.14 | CX LogD: 2.89 |
| Aromatic Rings: 1 | Heavy Atoms: 14 | QED Weighted: 0.84 | Np Likeness Score: 1.09 |
References
| 1. Yoo HD, Ketchum SO, France D, Bair K, Gerwick WH.. (2002) Vidalenolone, a novel phenolic metabolite from the tropical red alga Vidalia sp., 65 (1): [PMID:11809064] [10.1021/np010319c] |
| 2. Shoeib NA, Bibby MC, Blunden G, Linley PA, Swaine DJ, Wheelhouse RT, Wright CW.. (2004) In-vitro cytotoxic activities of the major bromophenols of the red alga Polysiphonia lanosa and some novel synthetic isomers., 67 (9): [PMID:15387639] [10.1021/np0305268] |
Source
Source(1):