Details of the Drug

General Information of Drug (ID: DMQEJVU)

Drug Name
1-((2-chlorophenyl)diphenylmethyl)-1H-pyrazole
Synonyms
1-((2-Chlorophenyl)diphenylmethyl)-1H-pyrazole; TRAM-34; 289905-88-0; Tram 34; 1-[(2-Chlorophenyl)diphenylmethyl]-1H-pyrazole; AC1LCVHZ; CHEMBL498270; CHEBI:34990; 1-[(2-chlorophenyl)-diphenylmethyl]pyrazole; 1-(2-Chlorophenyl)diphenyl)methyl]-1H-pyrazole; SureCN41130; TRAM34; SCHEMBL41130; GTPL2336; KS-00000OJW; CTK0J1643; DTXSID70349650; MolPort-003-850-592; EX-A2316; BCP01324; ZINC3975392; BDBM50279107; ANW-72309; s1160; MFCD09842562; AKOS005146304; CS-1921; ACN-048484; MP-2041; API0000868; DS-2617; NCGC00165909-03; NCGC00165909-02
Indication
Disease Entry ICD 11 Status REF
Conjunctival fibrosis 9A61.3 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 344.8
Logarithm of the Partition Coefficient (xlogp) 5.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C22H17ClN2
IUPAC Name
1-[(2-chlorophenyl)-diphenylmethyl]pyrazole
Canonical SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CC=N4
InChI
InChI=1S/C22H17ClN2/c23-21-15-8-7-14-20(21)22(25-17-9-16-24-25,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17H
InChIKey
KBFUQFVFYYBHBT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
656734
ChEBI ID
CHEBI:34990
CAS Number
289905-88-0
TTD ID
D05RLR
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD 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 (KCN) TTMNI76 NOUNIPROTAC Inhibitor [2]
Calcium-activated potassium channel KCa3.1 (KCNN4) TT7M9I6 KCNN4_HUMAN Blocker (channel blocker) [3]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Estrogen receptor (ESR1) OTKLU61J ESR1_HUMAN Gene/Protein Processing [4]
Progesterone receptor (PGR) OT0FZ3QE PRGR_HUMAN Gene/Protein Processing [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Blockade of KCa3.1: A novel target to treat TGF-1 induced conjunctival fibrosis.Exp Eye Res. 2018 Feb;167:140-144.
2 Inhibitors of potassium channels KV1.3 and IK-1 as immunosuppressants. Bioorg Med Chem Lett. 2009 Apr 15;19(8):2299-304.
3 Blockade of the intermediate-conductance calcium-activated potassium channel as a new therapeutic strategy for restenosis. Circulation. 2003 Sep 2;108(9):1119-25.
4 The intermediate conductance Ca2+-activated K+ channel inhibitor TRAM-34 stimulates proliferation of breast cancer cells via activation of oestrogen receptors. Br J Pharmacol. 2010 Feb 1;159(3):650-8. doi: 10.1111/j.1476-5381.2009.00557.x. Epub 2009 Dec 24.