Details of the Drug

General Information of Drug (ID: DMOPUIH)

Drug Name
PMID15546730C2
Synonyms UNII-N9PH4O199D; N9PH4O199D; GTPL8136; BDBM13268
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1], [2]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 373.9
Topological Polar Surface Area (xlogp) 4.4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C17H16ClN5OS
IUPAC Name
N-(2-chloro-6-methylphenyl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide
Canonical SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=NC(=NC(=C3)C)C
InChI
InChI=1S/C17H16ClN5OS/c1-9-5-4-6-12(18)15(9)23-16(24)13-8-19-17(25-13)22-14-7-10(2)20-11(3)21-14/h4-8H,1-3H3,(H,23,24)(H,19,20,21,22)
InChIKey
WFRLFWGASBLYTC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11153014
CAS Number
302961-18-8
TTD ID
D08RZB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
B lymphocyte kinase (BLK) TTNDSC3 BLK_HUMAN Inhibitor [2]
Fyn tyrosine protein kinase (FYN) TT2B9KF FYN_HUMAN Inhibitor [2]
Hematopoietic cell kinase (HCK) TT42OGM HCK_HUMAN Inhibitor [2]
Janus kinase 3 (JAK-3) TTT7PJU JAK3_HUMAN Inhibitor [2]
LCK tyrosine protein kinase (LCK) TT860QF LCK_HUMAN Inhibitor [2]
Proto-oncogene c-Src (SRC) TT6PKBN SRC_HUMAN Inhibitor [2]
Tyrosine-protein kinase Fgr (FGR) TTPOGS1 FGR_HUMAN Inhibitor [2]
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
Janus kinase 3 (JAK-3) DTT JAK3 4.94E-03 0.28 1.41
LCK tyrosine protein kinase (LCK) DTT LCK 4.46E-02 -0.13 -1.09
Proto-oncogene c-Src (SRC) DTT SRC 7.46E-03 -0.2 -1.24
Fyn tyrosine protein kinase (FYN) DTT FYN 2.29E-01 -0.1 -0.51
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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