Details of the Drug

General Information of Drug (ID: DM6AV2S)

Drug Name
1-Amino-6-Cyclohex-3-Enylmethyloxypurine
Synonyms
1-AMINO-6-CYCLOHEX-3-ENYLMETHYLOXYPURINE; 872556-74-6; 4-(cyclohexylmethoxy)-1H-imidazo[4,5-c]pyridin-6-amine; AC1L9IVC; CTK2I2667; DTXSID90332206; 3h-imidazo[4,5-c]pyridin-6-amine,4-(cyclohexylmethoxy)-; ZINC20149007; AKOS030619175; DB02603; KB-268453; 1H-Imidazo[4,5-c]pyridin-6-amine, 4-(cyclohexylmethoxy)-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 246.31
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C13H18N4O
IUPAC Name
4-(cyclohexylmethoxy)-1H-imidazo[4,5-c]pyridin-6-amine
Canonical SMILES
C1CCC(CC1)COC2=C3C(=CC(=N2)N)NC=N3
InChI
InChI=1S/C13H18N4O/c14-11-6-10-12(16-8-15-10)13(17-11)18-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H2,14,17)(H,15,16)
InChIKey
VPUIDVRYMVIXGO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
445967
CAS Number
872556-74-6
DrugBank ID
DB02603
TTD ID
D0I9VN

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cyclin-dependent kinase 2 (CDK2) TT7HF4W CDK2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Cyclin-dependent kinase 2 (CDK2) DTT CDK2 2.28E-06 0.12 0.19
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.