Details of the Drug

General Information of Drug (ID: DMQOTHP)

Drug Name

AZD9833

Synonyms

AZD-9833; UNII-JUP57A8EPZ; JUP57A8EPZ; 2222844-89-3; Camizestrant; Camizestrant [USAN]; SCHEMBL20089710; NSC828717; WHO 11592; NSC-828717; HY-136255; AZ14066724; CS-0121043; 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)-

Indication

Disease Entry	ICD 11	Status	REF
ER-positive breast cancer	2C60-2C65	Phase 2	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

476.5

Logarithm of the Partition Coefficient (xlogp)

4.2

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C24H28F4N6
IUPAC Name: N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]pyridin-3-amine
Canonical SMILES: C[C@@H]1CC2=C(C=CC3=C2C=NN3)[C@H](N1CC(F)(F)F)C4=NC=C(C=C4)NC5CN(C5)CCCF
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
InChIKey: WDHOIABIERMLGY-CMJOXMDJSA-N

Cross-matching ID

PubChem CID: 134453496
ChEBI ID: CHEMBL4650365
CAS Number: 2222844-89-3
TTD ID: DATO92

Drug-Molecule Activity Atlas (DMA)^NEW

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Estrogen receptor (ESR)	TTZAYWL	ESR1_HUMAN	Degrader	[2]

Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	ClinicalTrials.gov (NCT04214288) A Comparative Study of AZD9833 Versus Fulvestrant in Women With Advanced ER-Positive HER2-Negative Breast Cancer (SERENA-2). U.S. National Institutes of Health.
2	Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J Med Chem. 2020 Dec 10;63(23):14530-14559.