Details of the Drug

General Information of Drug (ID: DMTVQH2)

Drug Name
NGP 555
Synonyms
WDEKUGNKKOGFOA-UHFFFAOYSA-N; NGP555; 1304630-27-0; UNII-1XA7T7L527; CHEMBL2151100; SCHEMBL16198584; NGP-455; 1XA7T7L527; HY-108714; CS-0030521; 2-Thiazolamine, N-(5-ethyl-2,4-dimethylphenyl)-4-(3-fluoro-4-(4-methyl-1H-imidazol-1-yl)phenyl)-; N-(5-Ethyl-2,4-dimethylphenyl)-4-(3-fluoro-4-(4-methylimidazol-1-yl)phenyl)-1,3-thiazol-2-amine
Indication
Disease Entry ICD 11 Status REF
Alzheimer disease 8A20 Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 406.5
Logarithm of the Partition Coefficient (xlogp) 6.3
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C23H23FN4S
IUPAC Name
N-(5-ethyl-2,4-dimethylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
Canonical SMILES
CCC1=CC(=C(C=C1C)C)NC2=NC(=CS2)C3=CC(=C(C=C3)N4C=C(N=C4)C)F
InChI
InChI=1S/C23H23FN4S/c1-5-17-10-20(15(3)8-14(17)2)26-23-27-21(12-29-23)18-6-7-22(19(24)9-18)28-11-16(4)25-13-28/h6-13H,5H2,1-4H3,(H,26,27)
InChIKey
WDEKUGNKKOGFOA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46853593
CAS Number
1304630-27-0
TTD ID
D0EV5O

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Gamma-secretase (GS) TT9W8GU APH1A_HUMAN ; APH1B_HUMAN ; PEN2_HUMAN ; NICA_HUMAN ; PSN1_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Alzheimer disease
ICD Disease Classification 8A20
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Gamma-secretase (GS) DTT APH1A; APH1B; NCSTN; PSENEN; PSEN1 1.47E-02 -0.09 -0.37
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)