General Information of the Compound
Compound ID
CP0000068
Compound Name
Anexate
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Synonyms
FlumUP TD
78755-81-4
Anexate
BRN 4763661
C15H14FN3O3
CHEBI:5103
CHEMBL407
Ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate
Ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Flumazenil
Flumazenil (Ro 15-1788)
Flumazenil (transdermal patch formulation)
Flumazenil (transdermal patch formulation), Coeruleus
Flumazenilo
Flumazenilo [Spanish]
Flumazenilum
Flumazenilum [Latin]
Flumazepil
Lanexat
MLS000028850
Mazicon
OFBIFZUFASYYRE-UHFFFAOYSA-N
Ro 15-1788
Ro 151788
Ro-15-1788
Ro15-1788
Romazicon
UNII-40P7XK9392
[11C]flumazenil
flumazenil
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Structure
Formula
C15H14FN3O3
Molecular Weight
303.293
Canonical SMILES
CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
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InChI
InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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InChIKey
OFBIFZUFASYYRE-UHFFFAOYSA-N
CAS
78755-81-4
Physicochemical Property
logP
1.7737
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
64.43
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 3373
SID: 14849666
ChEMBL ID
CHEMBL407
DrugBank ID
DB01205
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 ~ 326.4 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Flumazenil )
Drug Name Flumazenil
Company Coeruleus Ltd
Indication
Benzodiazepine overdose
Approved
Target(s)
Translocator protein (TSPO)
Antagonist
GABA(A) receptor alpha-2 (GABRA2)
Modulator (allosteric modulator)
GABA(A) receptor alpha-3 (GABRA3)
Modulator (allosteric modulator)
GABA(A) receptor alpha-5 (GABRA5)
Modulator (allosteric modulator)