| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA491530
Max Phase: Preclinical
Molecular Formula: C17H10N2O2
Molecular Weight: 274.28
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1OCc2c3ccccc3nc3c4ccccc4n1c23
Standard InChI: InChI=1S/C17H10N2O2/c20-17-19-14-8-4-2-6-11(14)15-16(19)12(9-21-17)10-5-1-3-7-13(10)18-15/h1-8H,9H2
Standard InChI Key: SFDUUZHSAMFNFS-UHFFFAOYSA-N
Associated Targets(non-human)
Saccharomyces cerevisiae 19171 Activities
M109 194 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| 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 |
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: 274.28 | Molecular Weight (Monoisotopic): 274.0742 | AlogP: 3.84 | #Rotatable Bonds: 0 |
| Polar Surface Area: 44.12 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.03 | CX LogP: 3.32 | CX LogD: 3.32 |
| Aromatic Rings: 4 | Heavy Atoms: 21 | QED Weighted: 0.49 | Np Likeness Score: 0.09 |
References
| 1. Yang SW, Abdel-Kader M, Malone S, Werkhoven MC, Wisse JH, Bursuker I, Neddermann K, Fairchild C, Raventos-Suarez C, Menendez AT, Lane K, Kingston DG.. (1999) Synthesis and biological evaluation of analogues of cryptolepine, an alkaloid isolated from the Suriname rainforest., 62 (7): [PMID:10425120] [10.1021/np990035g] |
Source
Source(1):