Details of the Drug

General Information of Drug (ID: DMD751X)

Drug Name
1614235 + 2330672
Synonyms AC1LUPX5
Indication
Disease Entry ICD 11 Status REF
Type-2 diabetes 5A11 Phase 1 [1]
Drug Type
Combination drug (small molecular drug)
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 342.5
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C21H28NO3+
IUPAC Name
diethyl-[(2R)-1-(2-hydroxy-2,2-diphenylacetyl)oxypropan-2-yl]azanium
Canonical SMILES
CC[NH+](CC)[C@H](C)COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C21H27NO3/c1-4-22(5-2)17(3)16-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,24H,4-5,16H2,1-3H3/p+1/t17-/m1/s1
InChIKey
DULUETYTNBOZNG-QGZVFWFLSA-O
Cross-matching ID
PubChem CID
1614235
TTD ID
D0D2WX
VARIDT ID
DR01118

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Ileal sodium/bile acid cotransporter (SLC10A2) TTPI1M5 NTCP2_HUMAN Modulator [2]
Sodium/glucose cotransporter 1 (SGLT1) TT2UE56 SC5A1_HUMAN Modulator [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Type-2 diabetes
ICD Disease Classification 5A11
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Ileal sodium/bile acid cotransporter (SLC10A2) DTT SLC10A2 2.54E-01 -0.06 -0.17
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 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800037723)
2 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 960).
3 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 915).