Details of the Drug

General Information of Drug (ID: DMJC8DR)

Drug Name
BNC-105
Synonyms BNC-105P; IL-0035; IL-0049; Combretastatin A4 analogs (cancer), Bionomics; VDAs (cancer), Bionomics; Vascular disruption agents (cancer), Bionomics; Vascular targeting agents (cancer), Bionomics
Indication
Disease Entry ICD 11 Status REF
Mesothelioma 2C51.2 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 372.4
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C20H20O7
IUPAC Name
(7-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
Canonical SMILES
CC1=C(C2=C(O1)C(=C(C=C2)OC)O)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C20H20O7/c1-10-16(12-6-7-13(23-2)18(22)19(12)27-10)17(21)11-8-14(24-3)20(26-5)15(9-11)25-4/h6-9,22H,1-5H3
InChIKey
RADMJHVVIZTENA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24786555
CAS Number
945771-74-4
UNII
TO9V2XZF53
DrugBank ID
DB06313
TTD ID
D01AZP

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Tubulin beta (TUBB) TTYFKSZ NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800021025)
2 The vascular disrupting agent BNC105 potentiates the efficacy of VEGF and mTOR inhibitors in renal and breast cancer.Cancer Biol Ther.2014;15(11):1552-60.