Details of the Drug

General Information of Drug (ID: DM6RVB3)

Drug Name
4-Pyridin-2-yl-5-quinolin-4-yl-thiazol-2-ylamine
Synonyms CHEMBL181640; SCHEMBL410002; 4-Pyridin-2-yl-5-quinolin-4-yl-thiazol-2-ylamine; UPYLCJSMNYCTLZ-UHFFFAOYSA-N; BDBM50151348; 4-(pyridin-2-yl)-5-(quinolin-4-yl)thiazol-2-amine
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) 304.4
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C17H12N4S
IUPAC Name
4-pyridin-2-yl-5-quinolin-4-yl-1,3-thiazol-2-amine
Canonical SMILES
C1=CC=C2C(=C1)C(=CC=N2)C3=C(N=C(S3)N)C4=CC=CC=N4
InChI
InChI=1S/C17H12N4S/c18-17-21-15(14-7-3-4-9-19-14)16(22-17)12-8-10-20-13-6-2-1-5-11(12)13/h1-10H,(H2,18,21)
InChIKey
UPYLCJSMNYCTLZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9796486
TTD ID
D0XL7C

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
TGF-beta receptor type I (TGFBR1) TTP4520 TGFR1_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
TGF-beta receptor type I (TGFBR1) DTT TGFBR1 2.62E-01 0.27 1.01
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Identification of 1,5-naphthyridine derivatives as a novel series of potent and selective TGF-beta type I receptor inhibitors. J Med Chem. 2004 Aug 26;47(18):4494-506.