TERCONAZOLE

Search structure
Trade Names:
Synonyms:
Status: Approved (1987)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: G01AG02
UNII: 0KJ2VE664U

Structure
InChI Key BLSQLHNBWJLIBQ-OZXSUGGESA-N
Smile CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
InChI
InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H31Cl2N5O3
Molecular Weight 532.47
AlogP 4.46
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 64.88
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 36.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cytochrome P450 51 inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 51 Cytochrome P450 family 51A Cytochrome P450 51A1
- 3000 - - -
Enzyme Hydrolase
- 21573 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 10896 - - -
Enzyme Oxidoreductase
- 2446 - - -
Enzyme Transferase
- - - - 12.62
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -8.81--1.69
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 12909 - 1375 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 13278 - 1246 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 25480 - 12740 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 14780 - 2336 -
Membrane receptor
- 12909 - 1246 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group I Nuclear hormone receptor subfamily 1 group I member 2
8900-14100 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 11456 - 25182 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Candidiasis, Vulvovaginal 3 D002181 ClinicalTrials
Vaginitis 1 D014627 ClinicalTrials

Related Entries

MCS

Scaffolds

Side Effects from Label

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
17.91
Injury, poisoning and procedural complications
13.65
Reproductive system and breast disorders
11.88
Product issues
8.69
Skin and subcutaneous tissue disorders
7.8
Vascular disorders
5.14
Infections and infestations
4.61
Gastrointestinal disorders
4.43
Musculoskeletal and connective tissue disorders
3.72
Nervous system disorders
3.72
Pregnancy, puerperium and perinatal conditions
2.66
Immune system disorders
2.3
Respiratory, thoracic and mediastinal disorders
2.3

Cross References

Resources Reference
CAS NUMBER 67915-31-5
ChEBI 82980
ChEMBL CHEMBL1306
DrugBank DB00251
EPA CompTox DTXSID2045498
FDA SRS 0KJ2VE664U
Human Metabolome Database HMDB14396
KEGG C08080
PharmGKB PA164768834
PubChem 441383
SureChEMBL SCHEMBL23165
ZINC ZINC000003873936
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