Details of the Drug

General Information of Drug (ID: DM8NLDI)

Drug Name
Endostatin
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 178.19
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C9H10N2O2
IUPAC Name
N-methyl-N-phenacylnitrous amide
Canonical SMILES
CN(CC(=O)C1=CC=CC=C1)N=O
InChI
InChI=1S/C9H10N2O2/c1-11(10-13)7-9(12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey
AAFYOVPTFNNVDN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
187888
CAS Number
55984-52-6
UNII
67RHC0R671
DrugBank ID
DB06423
TTD ID
D0V6AH

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Prolactin receptor (PRLR) TTBPXMA PRLR_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Prolactin antagonist-endostatin fusion protein as a targeted dual-functional therapeutic agent for breast cancer. Cancer Res. 2003 Jul 1;63(13):3598-604.