| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 26th, 2006 | 13 | Yes |
Popular Name: Clioquinol Clioquinol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 130-26-7 , [130-26-7]
130-26-7; Clioquinol (USP/INN); D03538
5-Chlor-7-jod-8-hydroxy-chinolin
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
5-Chloro-8-hydroxy-7-iodoquinoline
5-Chloro-8-hydroxy-7-iodoquinoline, 98%
| 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 | ↓ |
| 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| ALOGPS_SOLUBILITY | 2.64e-01 g/l | DrugBank-withdrawn |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 |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H361d: Suspected of damaging the unborn child | Acros Organics |
| UniProt Database Links | HIF1A_HUMAN; HIF1A_MOUSE | ChEBI |
| P phrase | P281: Use personal protective equipment as required | Acros Organics |
| P phrase | P281: Use personal protective equipment as required; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin.; R63: Possible risk of harm to the unborn child. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| 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 |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH15_MOUSE | Q99N23 | Carbonic Anhydrase 15, Mouse | 2330 | 0.61 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.