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
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.