(S)-N-(2-(4-Cyanophenyl)benzo[d]oxazol-5-yl)-2-((1-hydroxy-1,3-dihydrobenzo-[c][1,2]oxaborol-7-yl)oxy)propanamide

ID: ALA4203050

Chembl Id: CHEMBL4203050

PubChem CID: 145976500

Max Phase: Preclinical

Molecular Formula: C24H18BN3O5

Molecular Weight: 439.24

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  C[C@H](Oc1cccc2c1B(O)OC2)C(=O)Nc1ccc2oc(-c3ccc(C#N)cc3)nc2c1

Standard InChI:  InChI=1S/C24H18BN3O5/c1-14(32-21-4-2-3-17-13-31-25(30)22(17)21)23(29)27-18-9-10-20-19(11-18)28-24(33-20)16-7-5-15(12-26)6-8-16/h2-11,14,30H,13H2,1H3,(H,27,29)/t14-/m0/s1

Standard InChI Key:  HCMPITUGBAHITK-AWEZNQCLSA-N

Alternative Forms

1. Parent:

   

   ALA4203050

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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

Calculated Properties

Molecular Weight: 439.24

Molecular Weight (Monoisotopic): 439.1340

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References

1. Chacko S, Boshoff HIM, Singh V, Ferraris DM, Gollapalli DR, Zhang M, Lawson AP, Pepi MJ, Joachimiak A, Rizzi M, Mizrahi V, Cuny GD, Hedstrom L..  (2018)  Expanding Benzoxazole-Based Inosine 5'-Monophosphate Dehydrogenase (IMPDH) Inhibitor Structure-Activity As Potential Antituberculosis Agents.,  61  (11): [PMID:29746130] [10.1021/acs.jmedchem.7b01839]

Source

Source(1):

• Scientific Literature