Details of the Drug

General Information of Drug (ID: DMD7L48)

Drug Name
Plinabulin
Synonyms NPI-2358
Indication
Disease Entry ICD 11 Status REF
Non-small-cell lung cancer 2C25.Y Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 336.4
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C19H20N4O2
IUPAC Name
(3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
Canonical SMILES
CC(C)(C)C1=C(N=CN1)/C=C\\2/C(=O)N/C(=C\\C3=CC=CC=C3)/C(=O)N2
InChI
InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10-
InChIKey
UNRCMCRRFYFGFX-TYPNBTCFSA-N
Cross-matching ID
PubChem CID
9949641
CAS Number
714272-27-2
UNII
986FY7F8XR
DrugBank ID
DB05992
TTD ID
D0ZE1O
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Guanine nucleotide exchange factor (GNEF) TTKIGZF EI2BA_HUMAN ; EI2BB_HUMAN Stimulator [1]
Tubulin beta (TUBB) TTYFKSZ NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 NPI-2358 is a tubulin-depolymerizing agent: in-vitro evidence for activity as a tumor vascular-disrupting agent. Anticancer Drugs. 2006 Jan;17(1):25-31.