DORZOLAMIDE

Search structure
Synonyms:
Status: Approved (1994)
Entry Type: Small molecule
Molecule Category: Parent
ATC: S01EC03
UNII: 9JDX055TW1

Structure
InChI Key IAVUPMFITXYVAF-XPUUQOCRSA-N
Smile CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChI
InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16N2O4S3
Molecular Weight 324.45
AlogP 0.61
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 106.33
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- 0-43 0 0-9000 2-100
Enzyme
- 0-43 0 0-9000 2-100
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4
- 65 - 11 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Glaucoma 4 D005901 ClinicalTrials
Glaucoma, Open-Angle 3 D005902 ClinicalTrials
Ocular Hypertension 3 D009798 ClinicalTrials
Wet Macular Degeneration 2 D057135 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 120279-96-1
ChEBI 4702
ChEMBL CHEMBL218490
DrugBank DB00869
DrugCentral 949
EPA CompTox DTXSID7022960
FDA SRS 9JDX055TW1
Human Metabolome Database HMDB0015007
Guide to Pharmacology 6810
KEGG C06969
PDB ETS
PubChem 5284549
SureChEMBL SCHEMBL24061
ZINC ZINC000001530621
CONTENTS