Details of the Drug

General Information of Drug (ID: DM6PI5B)

Drug Name

M3258

Synonyms

LMP7-IN-1; 2285330-15-4; NSC818432; NSC-818432; HY-111790; CS-0091883; ((R)-2-(Benzofuran-3-yl)-1-((1S,2R,4R)-7-oxabicyclo[2.2.1]heptane-2-carboxamido)ethyl)boronic acid

Indication

Disease Entry	ICD 11	Status	REF
Multiple myeloma	2A83	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

329.2

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

5

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

5

Chemical Identifiers

Formula: C17H20BNO5
IUPAC Name: [(1R)-2-(1-benzofuran-3-yl)-1-[[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]boronic acid
Canonical SMILES: B([C@H](CC1=COC2=CC=CC=C21)NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)(O)O
InChI: InChI=1S/C17H20BNO5/c20-17(13-8-11-5-6-15(13)24-11)19-16(18(21)22)7-10-9-23-14-4-2-1-3-12(10)14/h1-4,9,11,13,15-16,21-22H,5-8H2,(H,19,20)/t11-,13-,15+,16+/m1/s1
InChIKey: RFQDLTYXNINJON-OYNZBZHQSA-N

Cross-matching ID

PubChem CID: 138319683
TTD ID: D7X8AQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Proteasome beta-8 (PS beta-8)	TTEAD9J	PSB8_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT04075721) First in Human Dose Escalation of M3258 as a Single Agent and Expansion Study of M3258 in Combination With Dexamethasone. U.S. National Institutes of Health.
2	Clinical pipeline report, company report or official report of EMD Serono.