Details of the Drug

General Information of Drug (ID: DM62PI8)

Drug Name
QCP
Synonyms CHEMBL485831; BDBM50242616
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 346.41
Logarithm of the Partition Coefficient (xlogp) -5.5
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C13H22N4O5S
IUPAC Name
(2S)-1-[(2R)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
Canonical SMILES
C1C[C@H](N(C1)C(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)N)N)C(=O)O
InChI
InChI=1S/C13H22N4O5S/c14-7(3-4-10(15)18)11(19)16-8(6-23)12(20)17-5-1-2-9(17)13(21)22/h7-9,23H,1-6,14H2,(H2,15,18)(H,16,19)(H,21,22)/t7-,8-,9-/m0/s1
InChIKey
QFTRCUPCARNIPZ-CIUDSAMLSA-N
Cross-matching ID
PubChem CID
11949247
TTD ID
D0H6DA

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Sodium/glucose cotransporter 1 (SGLT1) TT2UE56 SC5A1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Sodium/glucose cotransporter 1 (SGLT1) DTT SLC5A1 9.67E-01 0.08 0.42
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Tripeptides of RS1 (RSC1A1) inhibit a monosaccharide-dependent exocytotic pathway of Na+-D-glucose cotransporter SGLT1 with high affinity. J Biol Chem. 2007 Sep 28;282(39):28501-13.