Details of the Drug

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
ChEBI ID
CHEMBL4439259
CAS Number
2230820-11-6
UNII
97A09L5JCK
DrugBank ID
DB16834
TTD ID
DPNT63
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.