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ANHYDROLYCORINE
ID: ALA481250
Max Phase: Preclinical
Molecular Formula: C16H13NO2
Molecular Weight: 251.28
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Anhydrolycorine
Synonyms from Alternative Forms(1):
Canonical SMILES: c1cc2c3c(c1)-c1cc4c(cc1CN3CC2)OCO4
Standard InChI: InChI=1S/C16H13NO2/c1-2-10-4-5-17-8-11-6-14-15(19-9-18-14)7-13(11)12(3-1)16(10)17/h1-3,6-7H,4-5,8-9H2
Standard InChI Key: NWJBCDNATQJZOD-UHFFFAOYSA-N
Associated Targets(Human)
A549 127892 Activities
SK-MEL-28 48833 Activities
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NHDF 1164 Activities
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Associated Targets(non-human)
Rhodococcus fascians 54 Activities
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B16-F10 4610 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: 251.28 | Molecular Weight (Monoisotopic): 251.0946 | AlogP: 2.96 | #Rotatable Bonds: 0 |
| Polar Surface Area: 21.70 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 2.09 | CX LogP: 3.14 | CX LogD: 3.14 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.72 | Np Likeness Score: 0.37 |
References
| 1. Evidente A, Randazzo G, Surico G, Lavermicocca P, Arrigoni O. (1985) Degradation of Lycorine by Pseudomonas Species Strain ITM 311, 48 (4): [10.1021/np50040a008] |
| 2. Lamoral-Theys D, Andolfi A, Van Goietsenoven G, Cimmino A, Le Calvé B, Wauthoz N, Mégalizzi V, Gras T, Bruyère C, Dubois J, Mathieu V, Kornienko A, Kiss R, Evidente A.. (2009) Lycorine, the main phenanthridine Amaryllidaceae alkaloid, exhibits significant antitumor activity in cancer cells that display resistance to proapoptotic stimuli: an investigation of structure-activity relationship and mechanistic insight., 52 (20): [PMID:19788245] [10.1021/jm901031h] |
| 3. Nair JJ, Wilhelm A, Bonnet SL, van Staden J.. (2017) Antibacterial constituents of the plant family Amaryllidaceae., 27 (22): [PMID:29033234] [10.1016/j.bmcl.2017.09.052] |
Source
Source(1):