Details of the Drug

General Information of Drug (ID: DM7QUN0)

Drug Name
HQK-1001
Synonyms Sodium ST-20; Hematological disease therapeutic (oral), HemaQuest
Indication
Disease Entry ICD 11 Status REF
Beta thalassemia 3A50.2 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 138.14
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Chemical Identifiers
Formula
C6H11NaO2
IUPAC Name
sodium;2,2-dimethylbutanoate
Canonical SMILES
CCC(C)(C)C(=O)[O-].[Na+]
InChI
InChI=1S/C6H12O2.Na/c1-4-6(2,3)5(7)8;/h4H2,1-3H3,(H,7,8);/q;+1/p-1
InChIKey
OOPXYEYPPHJHSE-UHFFFAOYSA-M
Cross-matching ID
PubChem CID
53247304
CAS Number
3934-02-9
TTD ID
D0E6SB
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Hemoglobin (HB) TTQO71U HBA_HUMAN Inducer [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 A phase 2 trial of HQK-1001 in HbE-beta thalassemia demonstrates HbF induction and reduced anemia. Blood. 2014 Mar 20;123(12):1956-7.
2 A phase 2 study of HQK-1001, an oral fetal haemoglobin inducer, in beta-thalassaemia intermedia. Br J Haematol. 2014 Feb;164(3):456-8.