Details of the Drug

General Information of Drug (ID: DMXUCSN)

Drug Name
NPY5RA-972
Synonyms
NPY 5RA972; 439861-56-0; CHEMBL325226; N-[4-METHYL-9-(1-METHYLETHYL)-9H-CARBAZOL-3-YL]-4-MORPHOLINECARBOXAMIDE; SCHEMBL6826732; CTK8F0016; DTXSID30432395; MolPort-023-276-896; ZINC27101553; BDBM50116592; AKOS024457744; NCGC00370914-01; RT-014756; B7466; N-(4-Methyl-9-isopropyl-9H-carbazole-3-yl)morpholine-4-carboxamide; Morpholine-4-carboxylic acid (9-isopropyl-4-methyl-9H-carbazol-3-yl)-amide
Indication
Disease Entry ICD 11 Status REF
Obesity 5B81 Preclinical [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 351.4
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C21H25N3O2
IUPAC Name
N-(4-methyl-9-propan-2-ylcarbazol-3-yl)morpholine-4-carboxamide
Canonical SMILES
CC1=C(C=CC2=C1C3=CC=CC=C3N2C(C)C)NC(=O)N4CCOCC4
InChI
InChI=1S/C21H25N3O2/c1-14(2)24-18-7-5-4-6-16(18)20-15(3)17(8-9-19(20)24)22-21(25)23-10-12-26-13-11-23/h4-9,14H,10-13H2,1-3H3,(H,22,25)
InChIKey
ZNFMHLDBJPAFEQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9884833
CAS Number
439861-56-0
TTD ID
D0I5HE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Neuropeptide Y receptor type 5 (NPY5R) TTY6EWA NPY5R_HUMAN Antagonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Obesity
ICD Disease Classification 5B81
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Neuropeptide Y receptor type 5 (NPY5R) DTT NPY5R 7.49E-01 1.19E-02 0.03
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Emerging drugs for obesity: linking novel biological mechanisms to pharmaceutical pipelines. Expert Opin Emerg Drugs. 2005 Aug;10(3):643-60.