ID: ALA2035286
Chembl Id: CHEMBL2035286
PubChem CID: 70683814
Max Phase: Preclinical
Molecular Formula: C10H14BNO5
Molecular Weight: 239.04
Molecule Type: Small molecule
Associated Items:
Synonyms: (2,4-Dimethoxybenzamido)Methylboronic Acid | (2,4-Dimethoxybenzamido)Methylboronic Acid|CHEMBL2035286
Canonical SMILES: COc1ccc(C(=O)NCB(O)O)c(OC)c1
Standard InChI: InChI=1S/C10H14BNO5/c1-16-7-3-4-8(9(5-7)17-2)10(13)12-6-11(14)15/h3-5,14-15H,6H2,1-2H3,(H,12,13)
Standard InChI Key: AXVACYKBUZCSAW-UHFFFAOYSA-N
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| 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 |
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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: 239.04 | Molecular Weight (Monoisotopic): 239.0965 | AlogP: ┄ | #Rotatable Bonds: ┄ |
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| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: ┄ | CX LogD: ┄ |
| Aromatic Rings: ┄ | Heavy Atoms: ┄ | QED Weighted: ┄ | Np Likeness Score: ┄ |
| 1. Zervosen A, Bouillez A, Herman A, Amoroso A, Joris B, Sauvage E, Charlier P, Luxen A.. (2012) Synthesis and evaluation of boronic acids as inhibitors of Penicillin Binding Proteins of classes A, B and C., 20 (12): [PMID:22579615] [10.1016/j.bmc.2012.04.018] |
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