General Information of the Compound
Compound ID
CP0385979
Compound Name
N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-1,3-benzothiazol-2-amine
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Synonyms
0328AB
201410-53-9
AKOS005067289
AX8224298
BCP21218
BCP28256
BDBM50253810
C21H23N5S
CHEBI:102167
CHEMBL459505
CS-1343
D09385
DB13083
HY-14531
MEN13510
MolPort-018-666-712
N-(4-(2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl)phenyl)-2-benzothiazolamine
N-(4-(2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl)phenyl)benzo[d]thiazol-2-amine
NCGC00378894-01
R 115866
R-115866
R115866
Rambazole
Rambazole (TN)
SCHEMBL721201
SNFYYXUGUBUECJ-UHFFFAOYSA-N
Talarozole
Talarozole pound&gt
Talarozole (USAN/INN)
Talarozole [USAN:INN]
W-5674
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Structure
Formula
C21H23N5S
Molecular Weight
377.517
Canonical SMILES
CCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1
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InChI
InChI=1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)
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InChIKey
SNFYYXUGUBUECJ-UHFFFAOYSA-N
CAS
201410-53-9
Physicochemical Property
logP
5.657
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
55.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 9799888
SID: 14755739
ChEMBL ID
CHEMBL459505
DrugBank ID
DB13083
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: PT02999, Cytochrome P450 26A1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 5.1 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT06165, Cytochrome P450 26B1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 0.46 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Rambazole )
Drug Name Rambazole
Company Barrier
Indication
Psoriasis vulgaris
Phase 2
Asthma
Investigative
Target(s)
Substance-K receptor (TACR2)
 Target Info 
Antagonist
Cytochrome P450 26 (CYP26A1)
 Target Info 
Inhibitor