Details of the Drug

General Information of Drug (ID: DMZHDWN)

Drug Name
A-357300
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) 359.9
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C15H22ClN3O3S
IUPAC Name
N'-[(2S,3R)-3-amino-2-hydroxy-5-propan-2-ylsulfanylpentanoyl]-3-chlorobenzohydrazide
Canonical SMILES
CC(C)SCC[C@H]([C@@H](C(=O)NNC(=O)C1=CC(=CC=C1)Cl)O)N
InChI
InChI=1S/C15H22ClN3O3S/c1-9(2)23-7-6-12(17)13(20)15(22)19-18-14(21)10-4-3-5-11(16)8-10/h3-5,8-9,12-13,20H,6-7,17H2,1-2H3,(H,18,21)(H,19,22)/t12-,13+/m1/s1
InChIKey
BYBVYIPUGPZRSX-OLZOCXBDSA-N
Cross-matching ID
PubChem CID
448285
ChEBI ID
CHEMBL352764
TTD ID
D02APY
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Methionine aminopeptidase 2 (METAP2) TTZL0OI MAP2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Tumor suppression by a rationally designed reversible inhibitor of methionine aminopeptidase-2. Cancer Res. 2003 Nov 15;63(22):7861-9.