In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2004 | 16 | Yes |
Popular Name: Dichlorphenamide Dichlorphenamide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 120-97-8 , [120-97-8]
1,3-Benzenedisulfonamide, 4,5-dichloro-
1,3-Disulfamoyl-4,5-dichlorobenzene
1,3-Disulfamyl-4,5-dichlorobenzene
120-97-8; C07459; Dichlorphenamide; Diclofenamide
120-97-8; D00518; Daranide (TN); Dichlorphenamide (USP); Diclofenamide (JP16/INN)
120-97-8; Dichlorphenamide; Prestwick_1071
3,4-Dichloro-5-sulfamylbenzenesulfonamide
4,5-Dichloro-1,3-benzenedisulfonamide
4,5-Dichloro-1,3-disulfamoylbenzene
4,5-Dichloro-benzene-1,3-disulfonic acid diamide
4,5-Dichloro-m-benzenedisulfonamide
4,5-Dichlorobenzene-1,3-disulfonamide
4,5-Dicholorobenzene-1,3-disulfonamide
dichlofenamide; diclofenamida; diclofenamidum
Dichlorphenamide (Diclofenamide)
Diclofenamide; 4,5-Dichloro-benzene-1,3-disulfonic acid diamide
Diclofenamide; 4,5-Dichloro-benzene-1,3-disulfonic; acid diamide
Llorens Brand of Dichlorphenamide
m-Benzenedisulfonamide, 4,5-dichloro-
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) | 0.54 | -4.57 | -13.7 | 4 | 6 | 0 | 120 | 305.164 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 3.98e-01 g/l | DrugBank-approved |
Target | Others | Selleck Chemicals |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CAH-1-A | Carbonic Anhydrase (cluster #1 Of 2), Archaea | Archaea | 190 | 0.59 | Binding ≤ 10μM |
CYNT-1-B | Carbonic Anhydrase (cluster #1 Of 3), Bacterial | Bacteria | 2010 | 0.50 | Binding ≤ 10μM |
Y1284-1-B | Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial | Bacteria | 872 | 0.53 | Binding ≤ 10μM |
B5SU02-2-E | Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic | Eukaryotes | 431 | 0.56 | Binding ≤ 10μM |
C0IX24-1-E | Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic | Eukaryotes | 79 | 0.62 | Binding ≤ 10μM |
CAH1-5-E | Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic | Eukaryotes | 374 | 0.56 | Binding ≤ 10μM |
CAH12-1-E | Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic | Eukaryotes | 56 | 0.63 | Binding ≤ 10μM |
CAH13-1-E | Carbonic Anhydrase XIII (cluster #1 Of 7), Eukaryotic | Eukaryotes | 23 | 0.67 | Binding ≤ 10μM |
CAH14-1-E | Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic | Eukaryotes | 345 | 0.57 | Binding ≤ 10μM |
CAH15-2-E | Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic | Eukaryotes | 95 | 0.61 | Binding ≤ 10μM |
CAH2-6-E | Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic | Eukaryotes | 9 | 0.70 | Binding ≤ 10μM |
CAH4-1-E | Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic | Eukaryotes | 380 | 0.56 | Binding ≤ 10μM |
CAH5A-1-E | Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic | Eukaryotes | 81 | 0.62 | Binding ≤ 10μM |
CAH5B-1-E | Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic | Eukaryotes | 91 | 0.62 | Binding ≤ 10μM |
CAH6-7-E | Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic | Eukaryotes | 79 | 0.62 | Binding ≤ 10μM |
CAH7-1-E | Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic | Eukaryotes | 6 | 0.72 | Binding ≤ 10μM |
CAH9-1-E | Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic | Eukaryotes | 501 | 0.55 | Binding ≤ 10μM |
CAH1-2-E | Carbonic Anhydrase I (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1200 | 0.52 | Functional ≤ 10μM |
CAH2-1-E | Carbonic Anhydrase II (cluster #1 Of 2), Eukaryotic | Eukaryotes | 38 | 0.65 | Functional ≤ 10μM |
CAH4-1-E | Carbonic Anhydrase IV (cluster #1 Of 2), Eukaryotic | Eukaryotes | 380 | 0.56 | Functional ≤ 10μM |
CAN-1-F | Carbonic Anhydrase (cluster #1 Of 3), Fungal | Fungi | 103 | 0.61 | Binding ≤ 10μM |
Q5AJ71-1-F | Carbonic Anhydrase (cluster #1 Of 4), Fungal | Fungi | 910 | 0.53 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
B5SU02_9CNID | B5SU02 | Alpha Carbonic Anhydrase, 9cnid | 431 | 0.56 | Binding ≤ 1μM |
Q5AJ71_CANAL | Q5AJ71 | Carbonic Anhydrase, Canal | 38 | 0.65 | Binding ≤ 1μM |
CAN_YEAST | P53615 | Carbonic Anhydrase, Yeast | 103 | 0.61 | Binding ≤ 1μM |
C0IX24_9CNID | C0IX24 | Carbonic Anhydrase, 9cnid | 79 | 0.62 | Binding ≤ 1μM |
CAH_METTE | P40881 | Carbonic Anhydrase, Mette | 150 | 0.60 | Binding ≤ 1μM |
CYNT_HELPY | O24855 | Carbonic Anhydrase 1, Helpy | 363 | 0.56 | Binding ≤ 1μM |
CAH15_MOUSE | Q99N23 | Carbonic Anhydrase 15, Mouse | 95 | 0.61 | Binding ≤ 1μM |
CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 25 | 0.67 | Binding ≤ 1μM |
CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 38 | 0.65 | Binding ≤ 1μM |
CAH4_BOVIN | Q95323 | Carbonic Anhydrase IV, Bovin | 380 | 0.56 | Binding ≤ 1μM |
CAH4_HUMAN | P22748 | Carbonic Anhydrase IV, Human | 95 | 0.61 | Binding ≤ 1μM |
CAH9_HUMAN | Q16790 | Carbonic Anhydrase IX, Human | 34 | 0.65 | Binding ≤ 1μM |
CAH5A_HUMAN | P35218 | Carbonic Anhydrase VA, Human | 630 | 0.54 | Binding ≤ 1μM |
CAH5A_MOUSE | P23589 | Carbonic Anhydrase VA, Mouse | 640 | 0.54 | Binding ≤ 1μM |
CAH5B_HUMAN | Q9Y2D0 | Carbonic Anhydrase VB, Human | 21 | 0.67 | Binding ≤ 1μM |
CAH5B_MOUSE | Q9QZA0 | Carbonic Anhydrase VB, Mouse | 640 | 0.54 | Binding ≤ 1μM |
CAH6_HUMAN | P23280 | Carbonic Anhydrase VI, Human | 134 | 0.60 | Binding ≤ 1μM |
CAH7_HUMAN | P43166 | Carbonic Anhydrase VII, Human | 26 | 0.66 | Binding ≤ 1μM |
CAH12_HUMAN | O43570 | Carbonic Anhydrase XII, Human | 50 | 0.64 | Binding ≤ 1μM |
CAH13_HUMAN | Q8N1Q1 | Carbonic Anhydrase XIII, Human | 23 | 0.67 | Binding ≤ 1μM |
CAH13_MOUSE | Q9D6N1 | Carbonic Anhydrase XIII, Mouse | 23 | 0.67 | Binding ≤ 1μM |
CAH14_HUMAN | Q9ULX7 | Carbonic Anhydrase XIV, Human | 345 | 0.57 | Binding ≤ 1μM |
Y1284_MYCTU | P64797 | Uncharacterized Protein Rv1284/MT1322, Myctu | 872 | 0.53 | Binding ≤ 1μM |
B5SU02_9CNID | B5SU02 | Alpha Carbonic Anhydrase, 9cnid | 431 | 0.56 | Binding ≤ 10μM |
Q5AJ71_CANAL | Q5AJ71 | Carbonic Anhydrase, Canal | 38 | 0.65 | Binding ≤ 10μM |
CYNT_MYCTU | O53573 | Carbonic Anhydrase, Myctu | 2010 | 0.50 | Binding ≤ 10μM |
CAN_YEAST | P53615 | Carbonic Anhydrase, Yeast | 103 | 0.61 | Binding ≤ 10μM |
C0IX24_9CNID | C0IX24 | Carbonic Anhydrase, 9cnid | 79 | 0.62 | Binding ≤ 10μM |
CAH_METTE | P40881 | Carbonic Anhydrase, Mette | 150 | 0.60 | Binding ≤ 10μM |
CYNT_HELPY | O24855 | Carbonic Anhydrase 1, Helpy | 363 | 0.56 | Binding ≤ 10μM |
CAH15_MOUSE | Q99N23 | Carbonic Anhydrase 15, Mouse | 95 | 0.61 | Binding ≤ 10μM |
CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 1200 | 0.52 | Binding ≤ 10μM |
CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 38 | 0.65 | Binding ≤ 10μM |
CAH4_BOVIN | Q95323 | Carbonic Anhydrase IV, Bovin | 380 | 0.56 | Binding ≤ 10μM |
CAH4_HUMAN | P22748 | Carbonic Anhydrase IV, Human | 95 | 0.61 | Binding ≤ 10μM |
CAH9_HUMAN | Q16790 | Carbonic Anhydrase IX, Human | 34 | 0.65 | Binding ≤ 10μM |
CAH5A_HUMAN | P35218 | Carbonic Anhydrase VA, Human | 630 | 0.54 | Binding ≤ 10μM |
CAH5A_MOUSE | P23589 | Carbonic Anhydrase VA, Mouse | 640 | 0.54 | Binding ≤ 10μM |
CAH5B_HUMAN | Q9Y2D0 | Carbonic Anhydrase VB, Human | 21 | 0.67 | Binding ≤ 10μM |
CAH5B_MOUSE | Q9QZA0 | Carbonic Anhydrase VB, Mouse | 640 | 0.54 | Binding ≤ 10μM |
CAH6_HUMAN | P23280 | Carbonic Anhydrase VI, Human | 134 | 0.60 | Binding ≤ 10μM |
CAH7_HUMAN | P43166 | Carbonic Anhydrase VII, Human | 26 | 0.66 | Binding ≤ 10μM |
CAH12_HUMAN | O43570 | Carbonic Anhydrase XII, Human | 50 | 0.64 | Binding ≤ 10μM |
CAH13_HUMAN | Q8N1Q1 | Carbonic Anhydrase XIII, Human | 23 | 0.67 | Binding ≤ 10μM |
CAH13_MOUSE | Q9D6N1 | Carbonic Anhydrase XIII, Mouse | 1450 | 0.51 | Binding ≤ 10μM |
CAH14_HUMAN | Q9ULX7 | Carbonic Anhydrase XIV, Human | 1540 | 0.51 | Binding ≤ 10μM |
Y1284_MYCTU | P64797 | Uncharacterized Protein Rv1284/MT1322, Myctu | 872 | 0.53 | Binding ≤ 10μM |
CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 1200 | 0.52 | Functional ≤ 10μM |
CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 38 | 0.65 | Functional ≤ 10μM |
CAH4_BOVIN | Q95323 | Carbonic Anhydrase IV, Bovin | 380 | 0.56 | Functional ≤ 10μM |
Description | Species |
---|---|
Erythrocytes take up carbon dioxide and release oxygen | |
Erythrocytes take up oxygen and release carbon dioxide | |
Regulation of gene expression by Hypoxia-inducible Factor | |
Reversible hydration of carbon dioxide |
No pre-computed analogs available. Try a structural similarity search.