Details of the Drug

General Information of Drug (ID: DMZ83P1)

Drug Name
Pyrimidinyl ethylenediamine derivative 1
Synonyms PMID26413912-Compound-79
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 428.8
Logarithm of the Partition Coefficient (xlogp) 4.5
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C19H14ClF5N4
IUPAC Name
(1R)-N'-[6-[3-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-(3,4-difluorophenyl)ethane-1,2-diamine
Canonical SMILES
C1=CC(=C(C=C1C2=CC(=NC=N2)NC[C@@H](C3=CC(=C(C=C3)F)F)N)Cl)C(F)(F)F
InChI
InChI=1S/C19H14ClF5N4/c20-13-5-11(1-3-12(13)19(23,24)25)17-7-18(29-9-28-17)27-8-16(26)10-2-4-14(21)15(22)6-10/h1-7,9,16H,8,26H2,(H,27,28,29)/t16-/m0/s1
InChIKey
WKWUCPXAFUCNHR-INIZCTEOSA-N
Cross-matching ID
PubChem CID
51037025
TTD ID
D0M1ND

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fatty acid amide hydrolase (FAAH) TTDP1UC NOUNIPROTAC Inhibitor [1]
Fatty-acid amide hydrolase 1 (FAAH1) TTGX13H FAAH1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Fatty acid amide hydrolase (FAAH) DTT NO-GeName 2.65E-01 0.02 0.1
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Fatty acid amide hydrolase inhibitors: a patent review (2009-2014).Expert Opin Ther Pat. 2015;25(11):1247-66.