ID: ALA1159662

Max Phase: Phase

Molecular Formula: C5H10O5

Molecular Weight: 150.13

Molecule Type: Small molecule

Representations

Synonyms (3): D-Ribose | Ribose | Ribose (pyranose)
Synonyms from Alternative Forms(3):

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

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

Properties

Molecular Weight: 150.13

Molecular Weight (Monoisotopic): 150.0528

AlogP: -2.58

#Rotatable Bonds: 0

Polar Surface Area: 90.15

Molecular Species: NEUTRAL

HBA: 5

HBD: 4

#RO5 Violations: 0

HBA (Lipinski): 5

HBD (Lipinski): 4

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 11.31

CX Basic pKa:

CX LogP: -2.30

CX LogD: -2.30

Aromatic Rings: 0

Heavy Atoms: 10

QED Weighted: 0.30

Np Likeness Score: 2.51

References

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 Unpublished dataset, 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

Source(2):

• Scientific Literature
• Clinical Candidates