General Information of the Compound
Compound ID
CP0751988
Compound Name
SID50106461
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Synonyms
(+/-)-Idazoxan Monohydrochloride
1H-Imidazole, 2-(2,3-d
1H-Imidazole, 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-,monohydrochloride
79944-56-2
AC1L4CEL
AKOS024458652
BN0267
CCG-214002
CHEMBL543467
CTK8G0263
HMS1570J14
IDAZOXAN HYDROCHLORIDE
Idazoxan (hydrochloride)
Idazoxan HCl
LP00652
MFCD00069293
MLS000069708
MLS001148081
MYUBYOVCLMEAOH-UHFFFAOYSA-N
MolPort-003-941-824
NSC-759867
NSC759867
Opera_ID_847
Pharmakon1600-01506073
RX 781094
RX 781094A
SCHEMBL707367
SMR000058458
SR-01000000206
Tox21_500652
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Structure
Formula
C11H13ClN2O2
Molecular Weight
240.69
Canonical SMILES
Cl.c1ccc2c(c1)OCC(C1=NCCN1)O2
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InChI
InChI=1S/C11H12N2O2.ClH/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11;/h1-4,10H,5-7H2,(H,12,13);1H
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InChIKey
MYUBYOVCLMEAOH-UHFFFAOYSA-N
Physicochemical Property
logP
1.2499
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
42.85
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
16

"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).

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PubChem ID
CID: 657281
SID: 12013061
ChEMBL ID
CHEMBL543467
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 32642.7 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( IDAZOXAN HYDROCHLORIDE )
Drug Name IDAZOXAN HYDROCHLORIDE
Indication
Neurological disorder
Phase 3
Target(s)
Adrenergic receptor alpha-2C (ADRA2C)
Modulator