GOZETOTIDE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 9AG41L3AOQ

Structure
InChI Key QJUIUFGOTBRHKP-LQJZCPKCSA-N
Smile O=C(O)CCc1ccc(O)c(CN(CCN(CC(=O)O)Cc2cc(CCC(=O)NCCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)ccc2O)CC(=O)O)c1
InChI
InChI=1S/C44H62N6O17/c51-34-13-8-28(22-30(34)24-49(26-40(59)60)20-21-50(27-41(61)62)25-31-23-29(9-14-35(31)52)11-16-38(55)56)10-15-37(54)46-18-4-1-2-7-36(53)45-19-5-3-6-32(42(63)64)47-44(67)48-33(43(65)66)12-17-39(57)58/h8-9,13-14,22-23,32-33,51-52H,1-7,10-12,15-21,24-27H2,(H,45,53)(H,46,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H2,47,48,67)/t32-,33-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C44H62N6O17
Molecular Weight 947.0
AlogP 1.55
Hydrogen Bond Acceptor 13.0
Hydrogen Bond Donor 12.0
Number of Rotational Bond 35.0
Polar Surface Area 370.07
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 67.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MH clan Metallo protease M28 family Metallo protease M28B subfamily
- - - 0 -

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3578202
DrugBank DB16303
FDA SRS 9AG41L3AOQ
SureChEMBL SCHEMBL18059388
ZINC ZINC000203341463
CONTENTS