General Information of the Compound
Compound ID
CP0083490
Compound Name
2-(Diphenylboryloxy)Ethanamine
    Show/Hide
Synonyms
2-APB
2-aminoethoxydiphenyl borate
2-aminoethoxydiphenylborane
    Show/Hide
Structure
Formula
C14H16BNO
Molecular Weight
225.1
Canonical SMILES
NCCOB(c1ccccc1)c1ccccc1
    Show/Hide
InChI
InChI=1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2
    Show/Hide
InChIKey
BLZVCIGGICSWIG-UHFFFAOYSA-N
CAS
524-95-8
Physicochemical Property
logP
0.7676
Rotatable Bonds
5
Heavy Atom Count
17
Polar Areas
35.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 1598
SID: 15121526
ChEMBL ID
CHEMBL169233
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04908, Transient receptor potential cation channel subfamily M member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1000 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 1200 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-APB )
Drug Name 2-APB
Target(s)
Long transient receptor potential channel 7 (TRPM7)
Activator
Transient receptor potential cation channel V3 (TRPV3)
Activator
Transient receptor potential cation channel V1 (TRPV1)
Activator
Short transient receptor potential channel 5 (TRPC5)
Blocker (channel blocker)
Long transient receptor potential channel 3 (TRPM3)
Inhibitor (gating inhibitor)
Short transient receptor potential channel 3 (TRPC3)
Blocker (channel blocker)
Long transient receptor potential channel 6 (TRPM6)
Activator
Transient receptor potential cation channel V2 (TRPV2)
Activator
Long transient receptor potential channel 2 (TRPM2)
Blocker (channel blocker)
Long transient receptor potential channel 8 (TRPM8)
Blocker (channel blocker)
Short transient receptor potential channel 4 (TRPC4)
Blocker (channel blocker)
Short transient receptor potential channel 6 (TRPC6)
Blocker (channel blocker)
Short transient receptor potential channel 7 (TRPC7)
Blocker (channel blocker)
Transient receptor potential cation channel V6 (TRPV6)
Activator