General Information of the Compound
Compound ID
CP0030899
Compound Name
1-[(2-chlorophenyl)-diphenylmethyl]imidazole
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Synonyms
(Chlorotrityl)imidazole
1-(o-Chlorotrityl)imidazole
B 5097
Bay b 9057
Bay-B 5097
Bayer Brand 1 of Clotrimazole
Bayer Brand 2 of Clotrimazole
C 6019
Cancap-VT (TN)
Candid - V Gel (TN)
Candid Vaginal (TN)
Candinil (TN)
Canesten
Canesten (TN)
Canesten 1-Day Cream Combi-Pak
Canesten 1-Day Therapy
Canesten 3-Day Therapy
Canesten 6-Day Therapy
Canesten Combi-Pak 1-Day Therapy
Canesten Combi-Pak 3-Day Therapy
Canesten Cream
Canesten Solution
Canestene
Canestine
Canifug
Chlotrimazole
Cimitidine
Clobrate VT (TN)
Clomatin
Clotrimaderm
Clotrimazol
Clotrimazol [INN-Spanish]
Clotrimazole
Clotrimazole (JP15/USP/INN)
Clotrimazole Schering Brand
Clotrimazole [USAN:INN:BAN:JAN]
Clotrimazolum
Clotrimazolum [INN-Latin]
Clotrimeizol
Cutistad
DRG-0072
Desamix F
Empecid
Esparol
FB 5097
FB b 5097
Fem Care
FemCare
Gino-Lotremine
Gyne lotrimin
Gyne-Lotrimin
Gyne-Lotrimin 3
Gyne-Lotrimin 3 Combination Pack
Gyne-Lotrimin Combination Pack
Gynix
Kanesten
Klotrimazole
Lotrimax
Lotrimin
Lotrimin (TN)
Lotrimin AF Cream
Lotrimin AF Jock-Itch Cream
Lotrimin AF Lotion
Lotrimin AF Solution
Lotrimin Af
Lotrimin Cream
Lotrimin Lotion
Lotrimin Solution
Mono-baycuten
Monobaycuten
Mycelax
Mycelex
Mycelex (TN)
Mycelex 7
Mycelex Cream
Mycelex G
Mycelex OTC
Mycelex Solution
Mycelex Troches
Mycelex Twin Pack
Mycelex-7
Mycelex-7 Combination Pack
Mycelex-G
Mycelex: MycosporinRimazole
Myclo Cream
Myclo Solution
Myclo Spray Solution
Myclo-Gyne
Mycofug
Mycosporin
Mykosporin
Nalbix
Neo-Zol Cream
Pan-Fungex
Pedisafe
Rimazole
Schering Brand of Clotrimazole
Stiemazol
Tibatin
Trimysten
Trivagizole 3
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Structure
Formula
C22H17ClN2
Molecular Weight
344.845
Canonical SMILES
Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
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InChI
InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
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InChIKey
VNFPBHJOKIVQEB-UHFFFAOYSA-N
CAS
117829-71-7
23593-75-1
Physicochemical Property
logP
5.3767
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
17.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 2812
SID: 14802606
ChEMBL ID
CHEMBL104
DrugBank ID
DB00257
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: PT00820, Acetylcholinesterase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 19410 nM
   TI
   LI
   LO
   TS
Protein ID: PT06079, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1 Sus scrofa (Pig)  2
1
IC50 = 3500 nM
   TI
   LI
   LO
   TS
2
Ki = 25100 nM
   TI
   LI
   LO
   TS
Protein ID: PT01685, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1 Sus scrofa (Pig)  2
1
IC50 = 4800 nM
   TI
   LI
   LO
   TS
2
Ki = 18300 nM
   TI
   LI
   LO
   TS
Protein ID: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1 Sus scrofa (Pig)  3
1
IC50 = 6700 nM
   TI
   LI
   LO
   TS
2
Ki = 29920 nM
   TI
   LI
   LO
   TS
3
Ki = 44000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01049, Cytochrome P450 2C19
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 16 nM
   TI
   LI
   LO
   TS
Protein ID: PT00905, Cytochrome P450 2C9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 16 nM
   TI
   LI
   LO
   TS
Protein ID: PT00986, Cytochrome P450 3A4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 16 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 20 nM
2 IC50 = 50 nM
3 IC50 = 67 nM
4 IC50 = 300 nM
Protein ID: PT00967, Glucocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000162 HeLa S3 Homo sapiens (Human)  2
1
IC50 = 3258 nM
   TI
   LI
   LO
   TS
2
Ki = 1481 nM
   TI
   LI
   LO
   TS
Protein ID: PT03388, Indoleamine 2,3-dioxygenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 51600 nM
   TI
   LI
   LO
   TS
Protein ID: PT06300, Indoleamine 2,3-dioxygenase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 5900 nM
   TI
   LI
   LO
   TS
Protein ID: PT00984, Intermediate conductance calcium-activated potassium channel protein 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 70 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 70 nM
2 IC50 = 360 nM
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 29092.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT00901, Prostaglandin G/H synthase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 41796 nM
   TI
   LI
   LO
   TS
Protein ID: PT03795, Solute carrier family 22 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 11970 nM
   TI
   LI
   LO
   TS
Protein ID: PT04908, Transient receptor potential cation channel subfamily M member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 3000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 < 3000 nM
Protein ID: PT01102, Voltage-dependent L-type calcium channel subunit alpha-1C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 590 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000150 HaCaT Homo sapiens (Human)  1
1
LD50 = 40000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Clotrimazole )
Drug Name Clotrimazole
Company Bayer Pharmaceuticals Corporation
Indication
Fungal infection
Approved
Target(s)
C-X-C chemokine receptor type 2 (CXCR2)
Modulator