ID: ALA2386009

Max Phase: Preclinical

Molecular Formula: C16H20BNO

Molecular Weight: 253.15

Molecule Type: Small molecule

Representations

Canonical SMILES:  Cc1ccc([B-]2(c3ccc(C)cc3)[NH2+]CCO2)cc1

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

Standard InChI Key:  APGXLCFFSIYZGI-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:

HBD:

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HBD (Lipinski):

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CX Acidic pKa:

CX Basic pKa:

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