UCSF

ZINC03873936

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 36 No

Popular Name: Terconazole Terconazole

Find On: PubMed — Wikipedia — Google

CAS Number: 67915-31-5

Other Names:

conazole

1-(4-((2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(1-methylethyl)piperazine

1-(4-((2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(1-methylethyl)piperazine; C26H31Cl2N5O3; EINECS 267-751-6; Gyno-Terazol; LS-176634; NSC 331942; Piperazine, 1-(4-(((2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,

1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-propan-2-ylpiperazine

1-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-propan-2-ylpiperazine

1-[4-[[(4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-propan-2-ylpiperazine

1-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-propan-2-ylpiperazine

67915-31-5

67915-31-5; C08080; Terconazole

67915-31-5; D00888; Terazol 3 (TN); Terconazole (USAN/INN)

85058-79-3

AB00513849

AC1L1895

AC1L1KA5

AC1L9B2M

AC1LA3NV

AC1Q3MYQ

AC1Q3N0B

AR-1I2364

AR-1L5963

BAN

BIDD:GT0705

BPBio1_000429

BRD-K86204871-001-02-2

BSPBio_000389

C08080

C26H31Cl2N5O3

CAS-67915-31-5

CHEMBL1306

CID441383

CID480953

CID50001

CID5404

CID9936883

cis-1-(p-((2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-isopropylpiperazine

D00888

DAP000629

DB00251

EINECS 267-751-6

FDA

Fungistat

Gyno-Terazol

HMS1569D11

INN

LS-176634

MLS002153844

MLS002701820

NCGC00016912-01

NCGC00179575-01

nchembio.154-comp19

NSC 331942

NSC331942

Panlomyc

Piperazine, 1-(4-(((2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(1-methylethyl)-, rel-

Piperazine, 1-(4-((2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(1-methylethyl)-, cis-

Piperazine, 1-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(1-methylethyl)-, rel-(2R,4S)

Prestwick0_000495

Prestwick1_000495

Prestwick2_000495

Prestwick3_000495

Prestwick_812

R 42,470

R 42470

R-42470

SMR001233206

SMR001565413

SPBio_002310

Terazol

Terazol 3

Terazol 3 (TN)

Terazol 7

Terazol 7 3

Terazol 7 & 3

Terazol Cream & Suppositories

Terconazol

Terconazol [INN-Spanish]

Terconazole (BAN

Terconazole (FDA

Terconazole (USAN/INN)

Terconazole [USAN:INN:BAN]

Terconazolum

Terconazolum [INN-Latin]

Tercospor

Tetrazol 3

Tetrazol 7

Triaconazole

UNII-0KJ2VE664U

USAN)

Zazole

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.55 -1.13 -43.11 1 8 1 66 533.48 8 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.16e-02 g/l DrugBank-approved
Therapy antifungal SMDC Pharmakon
PUBCHEM_PATENT_ID EP0013390A2; EP0024298A2; EP0068552A2; EP0148969A1; EP0164176A2; EP0164176B1; EP0176523A1; EP0197571A2; EP0197571B1; EP0210659A2; EP0210659B1; EP0222771A1; EP0227173A2; EP0227173B1; EP0231537A2; EP0231537B1; EP0237962A2; EP0237963A2; EP0237964A2; EP024344 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CP51A-1-E Cytochrome P450 51 (cluster #1 Of 2), Eukaryotic Eukaryotes 3000 0.21 Binding ≤ 10μM
Z50466-1-O Trypanosoma Cruzi (cluster #1 Of 8), Other Other 400 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CP51A_HUMAN Q16850 Cytochrome P450 51, Human 3000 0.21 Binding ≤ 10μM
Z50466 Z50466 Trypanosoma Cruzi 400 0.25 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of gene expression by SREBF (SREBP)
Cholesterol biosynthesis
Endogenous sterols

Analogs ( Draw Identity 99% 90% 80% 70% )