AZD-8165

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7WO8I5IY24

Structure
InChI Key YUHNXUAATAMVKD-PZJWPPBQSA-N
Smile CCC(=O)O[C@@H](C(=O)N1N=CC[C@H]1C(=O)NCc1cc(Cl)ccc1-n1cnnn1)c1ccc(F)cc1
InChI
InChI=1S/C23H21ClFN7O4/c1-2-20(33)36-21(14-3-6-17(25)7-4-14)23(35)32-19(9-10-28-32)22(34)26-12-15-11-16(24)5-8-18(15)31-13-27-29-30-31/h3-8,10-11,13,19,21H,2,9,12H2,1H3,(H,26,34)/t19-,21+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H21ClFN7O4
Molecular Weight 513.92
AlogP 2.35
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 131.67
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 36.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 8000 - - -
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- 150 - - -

Cross References

Resources Reference
ChEMBL CHEMBL3786896
DrugBank DB15132
FDA SRS 7WO8I5IY24
Guide to Pharmacology 7726
SureChEMBL SCHEMBL642430
ZINC ZINC000114299781
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