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HYACINTHACINE A7
ID: ALA505166
Max Phase: Preclinical
Molecular Formula: C9H17NO3
Molecular Weight: 187.24
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Hyacinthacine A7
Synonyms from Alternative Forms(1):
Canonical SMILES: C[C@H]1CC[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N21
Standard InChI: InChI=1S/C9H17NO3/c1-5-2-3-6-8(12)9(13)7(4-11)10(5)6/h5-9,11-13H,2-4H2,1H3/t5-,6+,7+,8-,9+/m0/s1
Standard InChI Key: AGLLYYHKZWZSKX-JTPBWFLFSA-N
Associated Targets(non-human)
Alpha-L-fucosidase 1 358 Activities
Beta-galactosidase 500 Activities
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Beta-glucosidase A 127 Activities
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Acidic alpha-glucosidase 551 Activities
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Oligo-1,6-glucosidase 218 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 |
|---|
Properties
| Molecular Weight: 187.24 | Molecular Weight (Monoisotopic): 187.1208 | AlogP: -1.06 | #Rotatable Bonds: 1 |
| Polar Surface Area: 63.93 | Molecular Species: BASE | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.21 | CX Basic pKa: 9.61 | CX LogP: -0.99 | CX LogD: -3.18 |
| Aromatic Rings: 0 | Heavy Atoms: 13 | QED Weighted: 0.49 | Np Likeness Score: 1.91 |
References
| 1. Yamashita T, Yasuda K, Kizu H, Kameda Y, Watson AA, Nash RJ, Fleet GW, Asano N.. (2002) New polyhydroxylated pyrrolidine, piperidine, and pyrrolizidine alkaloids from Scilla sibirica., 65 (12): [PMID:12502331] [10.1021/np020296h] |
Source
Source(1):