Details of the Drug

General Information of Drug (ID: DMAFUHK)

Drug Name
QGC-001
Synonyms QGC001
Indication
Disease Entry ICD 11 Status REF
Hypertension BA00-BA04 Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 368.5
Logarithm of the Partition Coefficient (xlogp) -6.9
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C8H20N2O6S4
IUPAC Name
(3S)-3-amino-4-[[(2S)-2-amino-4-sulfobutyl]disulfanyl]butane-1-sulfonic acid
Canonical SMILES
C(CS(=O)(=O)O)[C@@H](CSSC[C@H](CCS(=O)(=O)O)N)N
InChI
InChI=1S/C8H20N2O6S4/c9-7(1-3-19(11,12)13)5-17-18-6-8(10)2-4-20(14,15)16/h7-8H,1-6,9-10H2,(H,11,12,13)(H,14,15,16)/t7-,8-/m0/s1
InChIKey
HJPXZXVKLGEMGP-YUMQZZPRSA-N
Cross-matching ID
PubChem CID
24851355
CAS Number
648927-86-0
UNII
638KY4573I
DrugBank ID
DB13107
TTD ID
D0C1JV

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Aspartyl aminopeptidase (DNPEP) TTGMFY7 DNPEP_HUMAN Inhibitor [2]
Glutamyl aminopeptidase (ENPEP) TT9PBIL AMPE_HUMAN Inhibitor [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT02322450) Phase IIa Study of the Product QGC001 Compared With Placebo in Patients With Essential Hypertension. U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 Clinical pipeline report, company report or official report of Quantum Genomics.