Details of the Drug

General Information of Drug (ID: DMAINU1)

Drug Name

RB-006

Indication

Disease Entry	ICD 11	Status	REF
Coronary artery disease	BA80	Discontinued in Phase 3	[1]
Thrombosis	DB61-GB90	Discontinued in Phase 3	[1]
Vascular disease	BE2Z	Discontinued in Phase 3	[1]

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
3

Molecular Weight

551.5

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

23

Hydrogen Bond Donor Count

4

Hydrogen Bond Acceptor Count

11

Chemical Identifiers

Formula: C20H39N3NaO11P
IUPAC Name: sodium;6-[2,6-bis(2-methoxyethoxycarbonylamino)hexanoylamino]hexyl hydrogen phosphate
Canonical SMILES: COCCOC(=O)NCCCCC(C(=O)NCCCCCCOP(=O)(O)[O-])NC(=O)OCCOC.[Na+]
InChI: InChI=1S/C20H40N3O11P.Na/c1-30-13-15-32-19(25)22-11-7-5-9-17(23-20(26)33-16-14-31-2)18(24)21-10-6-3-4-8-12-34-35(27,28)29;/h17H,3-16H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)(H2,27,28,29);/q;+1/p-1
InChIKey: AYPFBAOWSFOSKF-UHFFFAOYSA-M

Cross-matching ID

Repurposed Drugs (RPD)

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Coagulation factor IX (F9)	TTFEZ5Q	FA9_HUMAN	Inhibitor	[2]

Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

ICD Disease Classification

11 Disease of the circulatory system

Disease Class

ICD-11: BA80 Coronary artery disease

The Studied Tissue

Peripheral blood

The Studied Disease

Coronary artery disease [ICD-11:BA80-BA8Z]

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Coagulation factor IX (F9)	DTT	F9	5.69E-01	-0.13	-0.45

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 800019932)
2	In-vitro evaluation of anti-factor IXa aptamer on thrombin generation, clotting time, and viscoelastometry. Thromb Haemost. 2009 May;101(5):827-33.