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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.