ID: ALA1159662
Chembl Id: CHEMBL1159662
Cas Number: 7296-60-8
PubChem CID: 441481
Max Phase: Phase
Molecular Formula: C5H10O5
Molecular Weight: 150.13
Molecule Type: Small molecule
Associated Items:
Synonyms: D-Ribose | Ribose | Ribose (pyranose) | beta-D-Ribopyranose|7296-60-8|(2R,3R,4R,5R)-oxane-2,3,4,5-tetrol|Ribose(Pyranose Form)|beta-Ribopyranose (9CI)|115794-07-5|Ribopyranose, beta-D-|49X539P7H4|UNII-49X539P7H4|CHEBI:27476|.beta.-D-Ribopyranose|1drj|1drk|1ogd|2dri|RIBOSE (PYRANOSE)|SCHEMBL625216|CHEMBL1159662|DTXSID001316622|DB04286|C08353|Q27095107|(2R,3R,4R,5R)-Tetrahydro-2H-pyran-2,3,4,5-tetraol|beta-D-ribose; D-ribose; ribose; RIBOSE(PYRANOSE FORM)
Canonical SMILES: O[C@@H]1[C@H](O)[C@H](O)CO[C@H]1O
Standard InChI: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5-/m1/s1
Standard InChI Key: SRBFZHDQGSBBOR-TXICZTDVSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 150.13 | Molecular Weight (Monoisotopic): 150.0528 | AlogP: -2.58 | #Rotatable Bonds: ┄ |
| Polar Surface Area: 90.15 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 4 |
| #RO5 Violations: ┄ | HBA (Lipinski): 5 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 11.31 | CX Basic pKa: ┄ | CX LogP: -2.30 | CX LogD: -2.30 |
| Aromatic Rings: ┄ | Heavy Atoms: 10 | QED Weighted: 0.30 | Np Likeness Score: 2.51 |
| 1. Goeminne A, McNaughton M, Bal G, Surpateanu G, Van Der Veken P, De Prol S, Versées W, Steyaert J, Haemers A, Augustyns K.. (2008) Synthesis and biochemical evaluation of guanidino-alkyl-ribitol derivatives as nucleoside hydrolase inhibitors., 43 (2): [PMID:17582660] [10.1016/j.ejmech.2007.03.027] |
| 2. Hong JA, Bhave DP, Carroll KS.. (2009) Identification of critical ligand binding determinants in Mycobacterium tuberculosis adenosine-5'-phosphosulfate reductase., 52 (17): [PMID:19678707] [10.1021/jm900728u] |
| 3. Bing T, Chang T, Qi C, Zhang N, Liu X, Shangguan D.. (2012) Specific interactions between adenosine and streptavidin/avidin., 22 (23): [PMID:23084893] [10.1016/j.bmcl.2012.09.088] |
| 4. Gibbs AC.. (2014) Elements and modulation of functional dynamics., 57 (19): [PMID:24913411] [10.1021/jm500325k] |
| 5. Unpublished dataset, |
Source(2):
