General Information of the Compound
Compound ID
CP0016801
Compound Name
US10597366, Compound 289
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Synonyms
Belzutifan
MK-6482
PT2977
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Structure
Formula
C17H12F3NO4S
Molecular Weight
383.347
Canonical SMILES
CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2[C@@H](F)[C@@H](F)[C@@H](O)c12
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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
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InChIKey
LOMMPXLFBTZENJ-ZACQAIPSSA-N
CAS
1672668-24-4
Physicochemical Property
logP
3.28888
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
87.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 117947097
ChEMBL ID
CHEMBL4585668
DrugBank ID
DB15463
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03628, Endothelial PAS domain-containing protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000244 786-O Homo sapiens (Human)  2
1
EC50 = 11 nM
   TI
   LI
   LO
   TS
2
EC50 = 17 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 9 nM
Clinical Information about the Compound
Drug 1 ( Belzutifan )
Drug Name Belzutifan
Company Merck & Co.
Indication
Renal cell carcinoma
Phase 3
Von hippel-lindau disease
Phase 2
Solid tumour/cancer
Phase 1
Target(s)
Hypoxia-inducible factor 2 alpha (HIF-2A)
Inhibitor