Details of the Drug

General Information of Drug (ID: DM5VQ8E)

Drug Name
A-224940
Synonyms
CHEMBL364377; A-224940; 635755-66-7; SCHEMBL5884420; CTK2A8845; DTXSID90623944; BDBM50152424; 8-(cyclohexylmethoxy)quinolin-2-amine; 8-Cyclohexylmethoxy-quinolin-2-ylamine; 2-Quinolinamine, 8-(cyclohexylmethoxy)-
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): 0 Molecular Weight (mw) 256.339
Logarithm of the Partition Coefficient (xlogp) 4.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C16H20N2O
IUPAC Name
8-(cyclohexylmethoxy)quinolin-2-amine
Canonical SMILES
C1CCC(CC1)COC2=CC=CC3=C2N=C(C=C3)N
InChI
InChI=1S/C16H20N2O/c17-15-10-9-13-7-4-8-14(16(13)18-15)19-11-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2,(H2,17,18)
InChIKey
OTJOSBTUERTNPP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
22254551
CAS Number
635755-66-7
TTD ID
D05TVU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Melanin-concentrating hormone receptor 1 (MCHR1) TTX4RTB MCHR1_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
Melanin-concentrating hormone receptor 1 (MCHR1) DTT MCHR1 6.98E-01 -0.01 -0.04
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Synthesis and evaluation of 2-amino-8-alkoxy quinolines as MCHr1 antagonists. Part 3. Bioorg Med Chem Lett. 2004 Oct 4;14(19):4883-6.