Details of the Drug

General Information of Drug (ID: DMZ1SEW)

Drug Name

KRN-2391

Synonyms

Ki-3315

Indication

Disease Entry	ICD 11	Status	REF
Angina pectoris	BA40	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

331.31

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

5

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

9

Chemical Identifiers

Formula: C10H13N5O6S
IUPAC Name: 2-[[(cyanoamino)-pyridin-3-ylmethylidene]amino]ethyl nitrate;methanesulfonic acid
Canonical SMILES: CS(=O)(=O)O.C1=CC(=CN=C1)C(=NCCO[N+](=O)[O-])NC#N
InChI: InChI=1S/C9H9N5O3.CH4O3S/c10-7-13-9(8-2-1-3-11-6-8)12-4-5-17-14(15)16;1-5(2,3)4/h1-3,6H,4-5H2,(H,12,13);1H3,(H,2,3,4)
InChIKey: BIBJJSCMCXFMML-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
ATP-binding cassette transporter C9 (ABCC9)	TTEF5MJ	ABCC9_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Angina pectoris

ICD Disease Classification

BA40

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
ATP-binding cassette transporter C9 (ABCC9)	DTT	ABCC9	6.51E-01	0.02	0.06
ATP-binding cassette transporter C9 (ABCC9)	DTT	ABCC9	8.46E-01	0.02	0.22

Molecular Expression Atlas (MEA)

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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 800004022)
2	Effects of KRN2391 on ionic currents in rabbit femoral arterial myocytes