AZD-5099

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: 33BLU33GDV

Structure
InChI Key KGZHRAVDXGQUQM-WCQGTBRESA-N
Smile COC[C@H](C)NC(=O)c1nc(N2CC[C@@H](NC(=O)c3[nH]c(C)c(Cl)c3Cl)[C@@H](OC)C2)sc1C(=O)O
InChI
InChI=1S/C21H27Cl2N5O6S/c1-9(8-33-3)24-19(30)16-17(20(31)32)35-21(27-16)28-6-5-11(12(7-28)34-4)26-18(29)15-14(23)13(22)10(2)25-15/h9,11-12,25H,5-8H2,1-4H3,(H,24,30)(H,26,29)(H,31,32)/t9-,11+,12-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H27Cl2N5O6S
Molecular Weight 548.45
AlogP 2.57
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 145.88
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 35.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- 59000 - - -
Unclassified protein
- 73 - - -

Cross References

Resources Reference
ChEMBL CHEMBL3314565
FDA SRS 33BLU33GDV
SureChEMBL SCHEMBL3119587
ZINC ZINC000136319904
CONTENTS