Structure

InChI Key LOMMPXLFBTZENJ-ZACQAIPSSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Renal Cell 4 D002292 ClinicalTrials
Carcinoma, Renal Cell 4 D002292 ClinicalTrials
Neuroendocrine Tumors 4 D018358 FDA
Hemangioblastoma 4 D018325 FDA
von Hippel-Lindau Disease 4 D006623 FDA

Related Entries

Scaffolds

Cross References

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