Details of the Drug

General Information of Drug (ID: DM54K2P)

Drug Name

BTS-67582

Synonyms

1,1-Dimethyl-2-(2-morpholinophenyl)guanidine fumarate

Indication

Disease Entry	ICD 11	Status	REF
Diabetic complication	5A2Y	Discontinued in Phase 2	[1]
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Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

364.4

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

5

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

7

Chemical Identifiers

Formula: C17H24N4O5
IUPAC Name: (E)-but-2-enedioic acid;1,1-dimethyl-2-(2-morpholin-4-ylphenyl)guanidine
Canonical SMILES: CN(C)C(=NC1=CC=CC=C1N2CCOCC2)N.C(=C/C(=O)O)\\C(=O)O
InChI: InChI=1S/C13H20N4O.C4H4O4/c1-16(2)13(14)15-11-5-3-4-6-12(11)17-7-9-18-10-8-17;5-3(6)1-2-4(7)8/h3-6H,7-10H2,1-2H3,(H2,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey: FFEKJBVVAJTQST-WLHGVMLRSA-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

Diabetic complication

ICD Disease Classification

5A2Y

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 800001595)
2	BTS-67582 (Knoll Pharmaceuticals Co). IDrugs. 1999 Apr;2(4):355-9.