BELZUTIFAN

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Synonyms
Status
Molecule Category Free-form
UNII 7K28NB895L

Structure

InChI Key LOMMPXLFBTZENJ-ZACQAIPSSA-N
Smiles CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1[C@H](O)[C@H](F)[C@@H]2F
InChI
InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16-,17+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H12F3NO4S
Molecular Weight 383.35
AlogP 3.29
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 87.39
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Endothelial PAS domain-containing protein 1 inhibitor INHIBITOR ClinicalTrials Other Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor
11-17 9 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
11-17 9 - - -

Target Conservation

Protein: Endothelial PAS domain-containing protein 1
Description: Endothelial PAS domain-containing protein 1
Organism : Homo sapiens
Q99814 ENSG00000116016

Cross References

Resources Reference
ChEMBL CHEMBL4585668
FDA SRS 7K28NB895L
Guide to Pharmacology 11251
PDB 72Q
PubChem 117947097
SureChEMBL SCHEMBL16560918
ZINC ZINC000584905085
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