General
Preferred name
AMINOETHOXYDIPHENYLBORANE
Synonyms
2-APB ()
2-Aminoethoxydiphenyl Borate, 2-(Diphenylboryloxy)Ethanamine ()
2-Aminoethoxydiphenyl borate ()
2-Aminoethyl diphenylborinate ()
2-Aminoethyl Diphenylborinate (2-APB) ()
P&D ID
PD000617
CAS
524-95-8
Tags
available
drug candidate
Drug indication
Discovery agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Selective, competitive P2X1 antagonist (Tocris Bioactive Compound Library)
DESCRIPTION IP3 receptor antagonist. Also TRP channel modulator (Tocriscreen Total)
DESCRIPTION 2-APB, a transient receptor potential (TRP) activator for TRPV1, TRPV2, and TRPV3, could probably be used against diseases caused by hypersensitivity and temperature misregulation. (BOC Sciences Bioactive Compounds)
Compound Sets
17
BOC Sciences Bioactive Compounds
2-apb-cas-524-95-8-12251
Concise Guide to Pharmacology 2017/18
2433
Concise Guide to Pharmacology 2019/20
2433
Concise Guide to Pharmacology 2021/22
2433
Concise Guide to Pharmacology 2023/24
2433
Drug Repurposing Hub
DrugMAP
DM9AKVR
EU-OPENSCREEN Bioactive Compound Library
EOS102350
Guide to Pharmacology
2433
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL169233
MedChem Express Bioactive Compound Library
HY-W009724
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
2-aminoethyl-diphenylborinate
TargetMol Bioactive Compound Library
T4693
The Spectrum Collection
Tocris Bioactive Compound Library
1224
Tocriscreen Total
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
225.13
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
2
Aromatic Ring Count
2
cLogP
0.77
TPSA
35.25
Fraction CSP3
0.14
Chiral centers
0.0
Largest ring
6.0
QED
0.76
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Membrane Transporter/Ion Channel
Neuronal Signaling
Target
TRPV1
TRPV2
TRPV3
TRPC6
TRPM8
IP3 receptor
TRPC1, TRPC3, TRPC4, TRPC5, TRPC6, TRPC7, TRPM2, TRPM3, TRPM6, TRPV1, TRPV6
TRP Channel
Calcium Channel,TRP Channel
Primary Target
IP3 Receptors
MOA
TRP/TRPV Channel
Calcium Channel
Antagonist
Inositol Triphosphate IP3 Receptor Antagonists
Gap junction modulators
1,4,5-trisphosphate inhibitor
Member status
member
Source data