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NORACRONYCINE
ID: ALA509922
Max Phase: Preclinical
Molecular Formula: C19H17NO3
Molecular Weight: 307.35
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Noracronycine
Synonyms from Alternative Forms(1):
Canonical SMILES: Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C=CC(C)(C)O3
Standard InChI: InChI=1S/C19H17NO3/c1-19(2)9-8-12-15(23-19)10-14(21)16-17(12)20(3)13-7-5-4-6-11(13)18(16)22/h4-10,21H,1-3H3
Standard InChI Key: CBXBWBNEFPNSDO-UHFFFAOYSA-N
Associated Targets(Human)
KB 17409 Activities
A549 127892 Activities
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CCRF-HSB-2 188 Activities
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IGROV-1 47897 Activities
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UACC-257 46019 Activities
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Associated Targets(non-human)
B16 5829 Activities
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P388 20296 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
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Properties
| Molecular Weight: 307.35 | Molecular Weight (Monoisotopic): 307.1208 | AlogP: 3.58 | #Rotatable Bonds: 0 |
| Polar Surface Area: 51.46 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.95 | CX Basic pKa: | CX LogP: 4.37 | CX LogD: 4.36 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.65 | Np Likeness Score: 1.90 |
References
| 1. Kawaii S, Tomono Y, Katase E, Ogawa K, Yano M, Takemura Y, Ju-ichi M, Ito C, Furukawa H.. (1999) The antiproliferative effect of acridone alkaloids on several cancer cell lines., 62 (4): [PMID:10217715] [10.1021/np980504z] |
| 2. Funayama S, Borris RP, Cordell GA. (1983) Chemistry of Acronycine I. Carbon- 13 NMR Studies of Acronycine and Related Compounds, 46 (3): [10.1021/np50027a016] |
| 3. PubChem BioAssay data set, |
Source
Source(2):