Details of the Drug

General Information of Drug (ID: DMGF71W)

Drug Name

GRN163

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

2D MOL

#Ro5 Violations (Lipinski):
3

Molecular Weight

534.9

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

11

Hydrogen Bond Donor Count

4

Hydrogen Bond Acceptor Count

13

Chemical Identifiers

Formula: C15H26B3N3O8P2S2-2
Canonical SMILES: [B]C1CC(C(O1)COP(=S)(NC2CC(OC2COP(=S)(NC3CC(OC3CO)[B])[O-])[B])[O-])N
InChI: InChI=1S/C15H28B3N3O8P2S2/c16-13-1-7(19)11(28-13)5-25-31(24,33)21-9-3-15(18)29-12(9)6-26-30(23,32)20-8-2-14(17)27-10(8)4-22/h7-15,22H,1-6,19H2,(H2,20,23,32)(H2,21,24,33)/p-2
InChIKey: HHVGDFKKILAWTA-UHFFFAOYSA-L

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Telomerase reverse transcriptase (TERT)	TTUJFD0	TERT_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Multiple myeloma

ICD Disease Classification

2A83

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Telomerase reverse transcriptase (TERT)	DTT	TERT	8.59E-10	-0.08	-0.33

Molecular Expression Atlas (MEA)

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References

1	Emerging therapies for multiple myeloma. Expert Opin Emerg Drugs. 2009 Mar;14(1):99-127.