PRINOMASTAT

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Synonyms
Status
Molecule Category Free-form
UNII 10T6626FRK
EPA CompTox DTXSID3043946

Structure

InChI Key YKPYIPVDTNNYCN-INIZCTEOSA-N
Smiles CC1(C)SCCN(S(=O)(=O)c2ccc(Oc3ccncc3)cc2)[C@H]1C(=O)NO
InChI
InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H21N3O5S2
Molecular Weight 423.52
AlogP 2.26
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 108.83
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily
- 0.048-91 - 0.038-54 -
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M12B subfamily
- 5.5-22 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.09-54 - 0.038-54 -

Related Entries

Cross References

Resources Reference
ChEBI 138885
ChEMBL CHEMBL75094
DrugBank DB05100
FDA SRS 10T6626FRK
Guide to Pharmacology 6505
PDB PN0
PubChem 466151
SureChEMBL SCHEMBL115696
ZINC ZINC000000580328
CONTENTS