Details of the Drug

General Information of Drug (ID: DM70TKB)

Drug Name
zoxazolamine
Synonyms
Zoxazolamine; 61-80-3; 2-Amino-5-chlorobenzoxazole; 5-chlorobenzo[d]oxazol-2-amine; 5-Chloro-1,3-benzoxazol-2-amine; Flexin; 2-Benzoxazolamine, 5-chloro-; Contrazole; Deflexol; Flexilon; Zoxamin; Zoxine; USAF MA-12; McN-485; 5-Chloro-2-benzoxazolamine; Zossazolamina [DCIT]; C7H5ClN2O; Zoxazolaminum [INN-Latin]; Zoxazolamina [INN-Spanish]; NSC 24995; UNII-9DOW362Q29; BENZOXAZOLE, 2-AMINO-5-CHLORO-; CHEBI:35053; EINECS 200-519-4; MLS002639033; AI3-63120; YGCODSQDUUUKIV-UHFFFAOYSA-N; 9DOW362Q29; 2-Amino-5-chlorobenzoxazole, 97%
Indication
Disease Entry ICD 11 Status REF
Multiple myeloma 2A83 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 168.58
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C7H5ClN2O
IUPAC Name
5-chloro-1,3-benzoxazol-2-amine
Canonical SMILES
C1=CC2=C(C=C1Cl)N=C(O2)N
InChI
InChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
InChIKey
YGCODSQDUUUKIV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6103
ChEBI ID
CHEMBL35053
CAS Number
61-80-3
TTD ID
D0N0LB
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Calcium-activated potassium channel KCa2.2 (KCNN2) TT2T5M0 KCNN2_HUMAN Activator [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Intermediate conductance calcium-activated potassium channel protein 4 (KCNN4) OTQKQ346 KCNN4_HUMAN Gene/Protein Processing [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

ICD Disease Classification 02 Neoplasm
Disease Class ICD-11: 2C82 Prostate cancer
The Studied Tissue Bone marrow
The Studied Disease Multiple myeloma [ICD-11:2C82]
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Calcium-activated potassium channel KCa2.2 (KCNN2) DTT KCNN2 5.17E-02 1.41E-02 0.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2327).
2 Modulation of recombinant small-conductance Ca(2+)-activated K(+) channels by the muscle relaxant chlorzoxazone and structurally related compounds. J Pharmacol Exp Ther. 2001 Mar;296(3):683-9.
3 Functional and molecular identification of intermediate-conductance Ca(2+)-activated K(+) channels in breast cancer cells: association with cell cycle progression. Am J Physiol Cell Physiol. 2004 Jul;287(1):C125-34. doi: 10.1152/ajpcell.00488.2003. Epub 2004 Feb 25.