General Information of Drug (ID: DMD9Y5T)

Drug Name
AZD7648
Synonyms
AZD-7648; 2230820-11-6; UNII-97A09L5JCK; 97A09L5JCK; 7-methyl-2-((7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino)-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one; 7-Methyl-2-((7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino)-9-(tetrahydro-2H-pyran-4-yl)-7H-purin-8(9H)-one; 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one; CHEMBL4439259; SCHEMBL20299477; GTPL10601; US10407446, Example 3; BDBM413450; BCP30676; EX-A2988; AZD 7648;AZD7648; MFCD32062688; NSC817043; s8843; ZB1555; NSC-817043; SB23233; compound 16 [PMID: 31851518]; AC-31586; BS-16016; HY-111783; CS-0091859; CN1C(=O)N(C2CCOCC2)C2=NC(NC3=CN4N=CN=C4C=C3C)=NC=C12; 7-Methyl-2-((7-methyl(1,2,4)triazolo(1,5- a)pyridin-6-yl)amino)-9-(tetrahydro-2H-pyran- 4-yl)-7,9-dihydro-8H-purin-8-one; 8H-Purin-8-one, 7,9-dihydro-7-methyl-2-((7- methyl(1,2,4)triazolo(1,5-a)pyridin-6- yl)amino)-9-(tetrahydro-2H-pyran-4-yl)-
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Phase 1/2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 380.4
Logarithm of the Partition Coefficient (xlogp) 1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C18H20N8O2
IUPAC Name
7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one
Canonical SMILES
CC1=CC2=NC=NN2C=C1NC3=NC=C4C(=N3)N(C(=O)N4C)C5CCOCC5
InChI
InChI=1S/C18H20N8O2/c1-11-7-15-20-10-21-25(15)9-13(11)22-17-19-8-14-16(23-17)26(18(27)24(14)2)12-3-5-28-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,19,22,23)
InChIKey
XISVSTPEXYIKJL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135151360
CAS Number
2230820-11-6
TTD ID
DPNT63

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
DNA-dependent protein kinase catalytic (PRKDC) TTK3PY9 PRKDC_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT03907969) A Clinical Trial to Evaluate AZD7648 Alone and in Combination With Other Anti-cancer Agents in Patients With Advanced Cancers.. U.S. National Institutes of Health.
2 AZD7648 is a potent and selective DNA-PK inhibitor that enhances radiation, chemotherapy and olaparib activity. Nat Commun. 2019 Nov 7;10(1):5065.