General Information of the Compound
Compound ID
CP0910622
Compound Name
CAMIZESTRANT
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Synonyms
2222844-89-3
3-Pyridinamine, N-(1-(3-fluoropropyl)-3-azetidinyl)-6-((6S,8R)-6,7,8,9-tetrahydro-8-methyl-7-(2,2,2-trifluoroethyl)-3H-pyrazolo(4,3-F)isoquinolin-6-yl)-
AZ14066724
AZD-9833
AZD9833
CS-0121043
Camizestrant
Camizestrant [USAN]
HY-136255
JUP57A8EPZ
NSC-828717
NSC828717
SCHEMBL20089710
UNII-JUP57A8EPZ
WHO 11592
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Structure
Formula
C24H28F4N6
Molecular Weight
476.522
Canonical SMILES
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)F
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InChI
InChI=1S/C24H28F4N6/c1-15-9-19-18(4-6-21-20(19)11-30-32-21)23(34(15)14-24(26,27)28)22-5-3-16(10-29-22)31-17-12-33(13-17)8-2-7-25/h3-6,10-11,15,17,23,31H,2,7-9,12-14H2,1H3,(H,30,32)/t15-,23+/m1/s1
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InChIKey
WDHOIABIERMLGY-CMJOXMDJSA-N
CAS
2222844-89-3
Physicochemical Property
logP
4.3119
Rotatable Bonds
7
Heavy Atom Count
34
Polar Areas
60.08
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
34

"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: 134453496
ChEMBL ID
CHEMBL4650365
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: PT00886, Estrogen receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000083 MCF-7
 Cell Line Info 
Homo sapiens (Human)  4
1
IC50 = 0.1259 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 0.1585 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
3
IC50 = 6.31 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
4
IC50 > 316.23 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01194, Histamine H3 receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 330 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( AZD9833 )
Drug Name AZD9833
Company AstraZeneca
Indication
ER-positive breast cancer
Phase 2
Target(s)
Estrogen receptor (ESR)
 Target Info 
Degrader