Details of the Drug

General Information of Drug (ID: DMP2DNS)

Drug Name
Rambazole
Synonyms
Talarozole; 201410-53-9; R-115866; N-(4-(2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl)phenyl)benzo[d]thiazol-2-amine; R115866; CHEMBL459505; C21H23N5S; Rambazole (TN); Talarozole (USAN/INN); Talarozole [USAN:INN]; R 115866; N-(4-(2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl)phenyl)-2-benzothiazolamine; Talarozole pound> SCHEMBL721201; CHEBI:102167; MolPort-018-666-712; SNFYYXUGUBUECJ-UHFFFAOYSA-N; BCP28256; BCP21218; BDBM50253810; 0328AB; AKOS005067289; DB13083; CS-1343; NCGC00378894-01; HY-14531; AX8224298; D09385; W-5674; MEN13510
Indication
Disease Entry ICD 11 Status REF
Psoriasis vulgaris EA90 Phase 2 [1]
Asthma CA23 Investigative [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 377.5
Logarithm of the Partition Coefficient (xlogp) 6
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C21H23N5S
IUPAC Name
N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-1,3-benzothiazol-2-amine
Canonical SMILES
CCC(CC)C(C1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2)N4C=NC=N4
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)
InChIKey
SNFYYXUGUBUECJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9799888
ChEBI ID
CHEBI:102167
CAS Number
201410-53-9
DrugBank ID
DB13083
TTD ID
D0AA6Z
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cytochrome P450 26 (CYP26A1) TTD7Q0R CP26A_HUMAN Inhibitor [1]
Substance-K receptor (TACR2) TTYO0A3 NK2R_HUMAN Antagonist [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Cytochrome P450 26A1 (CYP26A1) OTL1DFWV CP26A_HUMAN Gene/Protein Processing [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Psoriasis vulgaris
ICD Disease Classification EA90
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Substance-K receptor (TACR2) DTT TACR2 1.39E-02 -0.17 -0.46
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Emerging drugs for psoriasis. Expert Opin Emerg Drugs. 2009 Mar;14(1):145-63.
2 Pharmacology of an original and selective nonpeptide antagonist ligand for the human tachykinin NK2 receptor. Eur J Pharmacol. 2005 Jun 1;516(2):104-11.
3 Induction of CYP26A1 by metabolites of retinoic acid: evidence that CYP26A1 is an important enzyme in the elimination of active retinoids. Mol Pharmacol. 2015;87(3):430-41.