(S)-4-(1-hydroxy-7-(trifluoromethyl)-3,4-dihydro-1H-benzo[c][1,2]oxaborinin-3-yl)-2-(pyridin-3-ylmethoxy)benzimidamide hydrochloride

ID: ALA4465265

Chembl Id: CHEMBL4465265

PubChem CID: 155531023

Max Phase: Preclinical

Molecular Formula: C22H20BClF3N3O3

Molecular Weight: 441.22

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  Cl.N=C(N)c1ccc([C@@H]2Cc3ccc(C(F)(F)F)cc3B(O)O2)cc1OCc1cccnc1

Standard InChI:  InChI=1S/C22H19BF3N3O3.ClH/c24-22(25,26)16-5-3-14-8-19(32-23(30)18(14)10-16)15-4-6-17(21(27)28)20(9-15)31-12-13-2-1-7-29-11-13;/h1-7,9-11,19,30H,8,12H2,(H3,27,28);1H/t19-;/m0./s1

Standard InChI Key:  DFCWVDGZBOIYOG-FYZYNONXSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 441.22

Molecular Weight (Monoisotopic): 441.1472

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References

1. Walker AL, Denis A, Bingham RP, Bouillot A, Edgar EV, Ferrie A, Holmes DS, Laroze A, Liddle J, Fouchet MH, Moquette A, Nassau P, Pearce AC, Polyakova O, Smith KJ, Thomas P, Thorpe JH, Trottet L, Wang Y, Hovnanian A..  (2019)  Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors.,  29  (20): [PMID:31521475] [10.1016/j.bmcl.2019.126675]

Source

Source(1):

• Scientific Literature