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
PubChem CID
86278324
CAS Number
959716-32-6
TTD ID
D03MCV
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

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) Jump to Detail Molecular Interaction Atlas of This Drug

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) Jump to Detail Molecular Expression Atlas of This Drug

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.