(4-(6-Oxo-6-(phenylamino)hexanamido)phenyl)boronic Acid

ID: ALA4079494

Chembl Id: CHEMBL4079494

PubChem CID: 137651575

Max Phase: Preclinical

Molecular Formula: C18H21BN2O4

Molecular Weight: 340.19

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  O=C(CCCCC(=O)Nc1ccc(B(O)O)cc1)Nc1ccccc1

Standard InChI:  InChI=1S/C18H21BN2O4/c22-17(20-15-6-2-1-3-7-15)8-4-5-9-18(23)21-16-12-10-14(11-13-16)19(24)25/h1-3,6-7,10-13,24-25H,4-5,8-9H2,(H,20,22)(H,21,23)

Standard InChI Key:  IIXSBFHMKUZSFU-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4079494

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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: 340.19

Molecular Weight (Monoisotopic): 340.1594

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References

1. Nikolaou A, Ninou I, Kokotou MG, Kaffe E, Afantitis A, Aidinis V, Kokotos G..  (2018)  Hydroxamic Acids Constitute a Novel Class of Autotaxin Inhibitors that Exhibit in Vivo Efficacy in a Pulmonary Fibrosis Model.,  61  (8): [PMID:29620892] [10.1021/acs.jmedchem.8b00232]

Source

Source(1):

• Scientific Literature