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
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.