ID: ALA2385996

Max Phase: Preclinical

Molecular Formula: C16H20BNO

Molecular Weight: 253.15

Molecule Type: Small molecule

Representations

Canonical SMILES:  C[N+]1(C)CCO[B-]1(c1ccccc1)c1ccccc1

Standard InChI:  InChI=1S/C16H20BNO/c1-18(2)13-14-19-17(18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3

Standard InChI Key:  LLZJYJPTHFNOMG-UHFFFAOYSA-N

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

Properties

Molecular Weight: 253.15

Molecular Weight (Monoisotopic): 253.1638

AlogP:

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HBA (Lipinski):

HBD (Lipinski):

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CX LogP:

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References

1. Hofer A, Kovacs G, Zappatini A, Leuenberger M, Hediger MA, Lochner M..  (2013)  Design, synthesis and pharmacological characterization of analogs of 2-aminoethyl diphenylborinate (2-APB), a known store-operated calcium channel blocker, for inhibition of TRPV6-mediated calcium transport.,  21  (11): [PMID:23602525] [10.1016/j.bmc.2013.03.037]

Source

Source(1):

• Scientific Literature