UCSF

ZINC06409735

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2006 13 Yes

CAS Numbers: 130-26-7 , [130-26-7]

Other Names:

(5-Chloro-7-iodo-8-quinolinolato-N(sup 1),O(sup 8))dihydroxybismuth (T-4); Bismuth, (5-chloro-7-iodo-8-quinolinolato-N(sup 1),O(sup 8))dihydroxy-, (T-4)-; Bismuth, (5-chloro-7-iodo-8-quinolinolato-N1,O8)dihydroxy-, (T-4)-; Chloro-5 iodo-7 bismutho-oxy-8 q

130-26-7; Clioquinol (USP/INN); D03538

5-Chlor-7-jod-8-hydroxy-chinolin [German]

5-Chlor-7-jod-8-hydroxy-chinolin [German]; 5-Chloro-7-iodo-8-hydroxyquinoline; 5-Chloro-7-iodo-8-quinolinol; 5-Chloro-8-hydroxy-7-iodoquinoline; 7-Iodo-5-chloro-8-hydroxyquinoline; 7-Iodo-5-chloroxine; 8-Quinolinol, 5-chloro-7-iodo-; AI3-16451; Ala-Quin

5-Chlor-7-jod-8-hydroxy-chinolin; 5-chloro-7-iodo-8-hydroxyquinoline; 5-chloro-7-iodo-8-quinolinol; 5-chloro-8-hydroxy-7-iodoquinoline; 7-iodo-5-chloro-8-hydroxyquinoline; 7-iodo-5-chloroxine; chloroiodoquin; iodochlorhydroxyquinoline; iodochlorohydroxyqu

5-CHLORO-7-IODO-8-HYDROXYQUINOLINE

5-Chloro-7-iodo-8-quinolinol

5-Chloro-7-iodo-8-quinolinol, 5-Chloro-8-hydroxy-7-iodoquinoline

5-chloro-7-iodoquinolin-8-ol

5-Chloro-7-iodoquinolin-8-ol, Iodochlorhydroxyquin, Clioquinol

5-Chloro-7-iodoquinolin-8-ol; Iodochlorhydroxyquin; Clioquinol

5-Chloro-8-hydroxy-7-iodoquinoline

5-Chloro-8-hydroxy-7-iodoquinoline, 98%

7-Iodo-5-chloro-8-hydroxyquinoline

7-Iodo-5-chloroxine

Ala-quin

Alchloquin

Alioform

Amebil

Amoenol

Bactol

Barquinol

BRD-K09255212-001-04-2

Budoform

Caswell No. 193

Chinoform

Chinoformum

Chloro-8-hydroxyiodoquinoline

Chloroiodoquin

Chloroiodoquine

Chlorojodochin

Cifoform

Cliochinolo [dcit]

Cliochinolum

Clioqinol

Clioquinol (BAN

clioquinol; clioquinolum

Clioquinolum [inn-latin]

Cliquinol

Corque

Cort-quin

Cortin

Cremo-quin

Dermaform

Dioquinol

DNC011356

Domeform

Domeform-HC

Eczecidin

Emaform

Enteritan

Entero-bio form

Entero-bioform

Entero-septol

Entero-vioform

Entero-vioformio

Enteroquinol

Enteroseptol

Enterovalodon

Enterozol

Enterseptol

Enterum locorten

Entrokin

FDA

Formtone-HC

Hi-eneterol

Hi-enterol

Hydriodide-enterol

Hysone

INN

Iodenterol

IODO

Iodochlorhydroxyquin

Iodochlorhydroxyquinol

Iodochlorhydroxyquinoline

Iodochlorohydroxyquin

Iodochlorohydroxyquinoline

Iodochloroquine

Iodochloroxine

Iodochloroxychinolinum

Iodochloroxyquinoline

Iodoenterol

Iodoxyquinoline

Jodchloroxychinolinum

Lekosept

Lidaform-HC

Linolasept

Loquinol

MFCD00006787

Mycoquin

Nioform

Nystaform

Oralcer

PBT-1

Quin-o-creme

Quinambicide

Quinoform

Racet

Rheaform

Rometin

Uad lotion

USP)

Vioform

Vioform-hydrocortisone

Vioformio

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.62 3.69 -5.63 1 2 0 33 305.502 0
Mid Mid (pH 6-8) 3.62 4.45 -38.91 0 2 -1 36 304.494 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 171 - 174 Acros Organics
ALOGPS_SOLUBILITY 2.64e-01 g/l DrugBank-withdrawn
Therapy antiseptic, antiamebic SMDC Iconix
Melting_Point ca 175? dec. Alfa-Aesar
Melting_Point ca 175° dec. Alfa-Aesar
H phrase H315: Causes skin irritation Acros Organics
UniProt Database Links HIF1A_HUMAN; HIF1A_MOUSE ChEBI
P phrase P281: Use personal protective equipment as required Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAH15-4-E Carbonic Anhydrase 15 (cluster #4 Of 6), Eukaryotic Eukaryotes 2330 0.61 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CAH15_MOUSE Q99N23 Carbonic Anhydrase 15, Mouse 2330 0.61 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.