ZIMLOVISERTIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: S3F315JJXI

Structure
InChI Key JKDGKIBAOAFRPJ-ZBINZKHDSA-N
Smile CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F
InChI
InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H20FN3O4
Molecular Weight 361.37
AlogP 1.58
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 103.54
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Interleukin-1 receptor-associated kinase 4 inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase IRAK family
- 16-63 - - 100
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 5330 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 25
Unclassified protein
- 16-63 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Arthritis, Rheumatoid 2 D001172 ClinicalTrials
Hidradenitis Suppurativa 2 D017497 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4081711
DrugBank DB15143
FDA SRS S3F315JJXI
Guide to Pharmacology 9667
PDB 8CG
SureChEMBL SCHEMBL17136792
ZINC ZINC000526061587
CONTENTS