General Information of the Compound
Compound ID
CP0474148
Compound Name
US9428505, Compound 7
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Synonyms
1613373-33-3
2,4-Imidazolidinedione, 1-(3,5-dimethyl-4-(2-((4-oxo-2-(4-(trifluoromethoxy)phenyl)-1,3,8-triazaspiro(4.5)dec-1-en-8-yl)sulfonyl)ethyl)phenyl)-5,5-dimethyl-
BDBM64562
CHEMBL3976807
J3.591.565F
PC-0371
PCO-371
PCO371
Pco-371
SCHEMBL17104864
TE53TU0WSQ
UNII-TE53TU0WSQ
US9428505, Compound 7
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Structure
Formula
C29H32F3N5O6S
Molecular Weight
635.665
Canonical SMILES
Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(OC(F)(F)F)cc1)N1C(=O)NC(=O)C1(C)C
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InChI
InChI=1S/C29H32F3N5O6S/c1-17-15-20(37-26(40)34-24(38)27(37,3)4)16-18(2)22(17)9-14-44(41,42)36-12-10-28(11-13-36)25(39)33-23(35-28)19-5-7-21(8-6-19)43-29(30,31)32/h5-8,15-16H,9-14H2,1-4H3,(H,33,35,39)(H,34,38,40)
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InChIKey
LDZJFVOUPUFOHX-UHFFFAOYSA-N
CAS
1613373-33-3
Physicochemical Property
logP
3.32034
Rotatable Bonds
7
Heavy Atom Count
44
Polar Areas
137.48
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
44

"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: 76283707
ChEMBL ID
CHEMBL3976807
DrugBank ID
DB14946
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: PT06582, Parathyroid hormone/parathyroid hormone-related peptide receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1
 Cell Line Info 
Sus scrofa (Pig)  1
1
EC50 = 2400 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02986, Parathyroid hormone/parathyroid hormone-related peptide receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1
 Cell Line Info 
Sus scrofa (Pig)  1
1
EC50 = 4100 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( PCO371 )
Drug Name PCO371
Company Chugai Pharma USA Berkeley Heights, NJ
Indication
Hypoparathyroidism
Phase 1
Target(s)
Parathyroid hormone 1 receptor (PTH1R)
 Target Info 
Agonist