UCSF

ZINC00896918

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 16 Yes

CAS Numbers: 120-97-8 , [120-97-8]

Other Names:

1,3-Benzenedisulfonamide, 4,5-dichloro-

1,3-Benzenedisulfonamide, 4,5-dichloro-; 1,3-Disulfamoyl-4,5-dichlorobenzene; 1,3-Disulfamyl-4,5-dichlorobenzene; 3,4-Dichloro-5-sulfamylbenzenesulfonamide; 4,5-Dichloro-1,3-disulfamoylbenzene; 4,5-Dichloro-m-benzenedisulfonamide; Antidrasi; BRN 2703329

1,3-Disulfamoyl-4,5-dichlorobenzene

1,3-disulfamoyl-4,5-dichlorobenzene; 1,3-disulfamyl-4,5-dichlorobenzene; 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-

1,3-Disulfamyl-4,5-dichlorobenzene

120-97-8

120-97-8; C07459; Dichlorphenamide; Diclofenamide

120-97-8; D00518; Daranide (TN); Dichlorphenamide (USP); Diclofenamide (JP16/INN)

120-97-8; Dichlorphenamide; Prestwick_1071

2pou

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

4,5-Dicholorobenzene-1,3-disulfonamide;Dichlofenamide;Dichlorophenamide;Dichlorphenamid;Diclofenamida [INN-Spanish];Diclofenamide;Diclofenamidum [INN-Latin]

AC1L1F18

Antidrasi

BAN

Barastonin

BPBio1_000745

BRD-K71499074-001-03-8

BRN 2703329

BSPBio_000677

C07459

C6H6Cl2N2O4S2

CAS-120-97-8

CB 8000

CHEBI:101085

CHEBI:47477; CHEBI:4505

CHEMBL17

CID3038

D004005

D00518

DAP000601

Daranide

Daranide (TN)

Dasanide

DB01144

DB07948

DCF

Dichlofenamide

dichlofenamide; diclofenamida; diclofenamidum

Dichlorophenamide

Dichlorophenamide (DCP)

Dichlorphenamid

Dichlorphenamide (Diclofenamide)

Dichlorphenamide (FDA

Dichlorphenamide (USP)

Dichlorphenamide [BAN]

Diclofenamid

Diclofenamida

Diclofenamida [INN-Spanish]

Diclofenamide

Diclofenamide (DCF

Diclofenamide (JP15/INN)

Diclofenamide; 4,5-Dichloro-benzene-1,3-disulfonic acid diamide

Diclofenamide; 4,5-Dichloro-benzene-1,3-disulfonic; acid diamide

Diclofenamidum

Diclofenamidum [INN-Latin]

EINECS 204-440-6

FT-0084528

Glafco

Glajust

Glaucol

Glauconide

Glaumid

HMS1570B19

HSDB 3267

I7A

INN

JAN)

JAN); Dichlorphenamide (FDA

Llorens Brand of Dichlorphenamide

LS-30043

m-Benzenedisulfonamide, 4,5-dichloro-

Merck Brand of Dichlorphenamide

MFCD00148948

MLS002154010

MolPort-004-285-635

NCGC00016371-01

NCGC00016371-02

Oratrol

Prestwick0_000809

Prestwick1_000809

Prestwick2_000809

Prestwick3_000809

Prestwick_1071

S2177_Selleck

SBB058142

SMR001233338

SPBio_002598

UNII-VVJ6673MHY

USP)

USP); Diclofenamide (BAN

ZINC00896918

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) 0.54 -4.57 -13.7 4 6 0 120 305.164 2

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.98e-01 g/l DrugBank-approved
Target Others Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
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
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
B5SU02_9CNID B5SU02 Alpha Carbonic Anhydrase, 9cnid 431 0.56 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
Q5AJ71_CANAL Q5AJ71 Carbonic Anhydrase, Canal 38 0.65 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_MOUSE Q9D6N1 Carbonic Anhydrase XIII, Mouse 23 0.67 Binding ≤ 1μM
CAH13_HUMAN Q8N1Q1 Carbonic Anhydrase XIII, Human 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

Reactome Annotations from Targets (via Uniprot)

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

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

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