Details of the Drug

General Information of Drug (ID: DM5073T)

Drug Name
3-AMINO-AZACYCLOTRIDECAN-2-ONE
Synonyms 3-AMINO-AZACYCLOTRIDECAN-2-ONE; RIN; AC1L9JYK; (3S)-3-aminoazacyclotridecan-2-one; (3S)-3-amino-azacyclotridecan-2-one; DB08476
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) 212.33
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C12H24N2O
IUPAC Name
(3S)-3-amino-azacyclotridecan-2-one
Canonical SMILES
C1CCCCCNC(=O)[C@H](CCCC1)N
InChI
InChI=1S/C12H24N2O/c13-11-9-7-5-3-1-2-4-6-8-10-14-12(11)15/h11H,1-10,13H2,(H,14,15)/t11-/m0/s1
InChIKey
CQZLEYBEPASILI-NSHDSACASA-N
Cross-matching ID
PubChem CID
446676
DrugBank ID
DB08476
TTD ID
D0SS8M

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Matrix metalloproteinase-8 (MMP-8) TTGA1IV MMP8_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.