Details of the Drug

General Information of Drug (ID: DM9JON3)

Drug Name
SU5402
Synonyms
su5402; 215543-92-3; SU 5402; SU-5402; 3-[3-(2-Carboxyethyl)-4-methylpyrrol-2-methylidenyl]-2-indolinone; (Z)-3-(4-methyl-2-((2-oxoindolin-3-ylidene)methyl)-1H-pyrrol-3-yl)propanoic acid; CHEMBL89363; 3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE; J-502595; 3-{[3-(2-carboxyethyl)-4-methylpyrrol-2-yl]methylene}-2-indolinone; 3-[4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid; (Z)-3-(4-Methyl-2-((2-oxoindolin-3-ylidene)-methyl)-1H-pyrrol-3-yl)propanoic acid
Indication
Disease Entry ICD 11 Status REF
Multiple myeloma 2A83 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 296.32
Logarithm of the Partition Coefficient (xlogp) 1.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H16N2O3
IUPAC Name
3-[4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
Canonical SMILES
CC1=CNC(=C1CCC(=O)O)/C=C\\2/C3=CC=CC=C3NC2=O
InChI
InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-
InChIKey
JNDVEAXZWJIOKB-JYRVWZFOSA-N
Cross-matching ID
PubChem CID
5289418
ChEBI ID
CHEBI:63449
CAS Number
215543-92-3
DrugBank ID
DB08577
TTD ID
D0A4XJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fibroblast growth factor receptor 3 (FGFR3) TTST7KB FGFR3_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Centrosomal protein 43 (CEP43) OT8TRHCF CEP43_HUMAN Gene/Protein Processing [2]
Fibroblast growth factor receptor 1 (FGFR1) OT4GLCXW FGFR1_HUMAN Gene/Protein Processing [3]
Mitogen-activated protein kinase 1 (MAPK1) OTH85PI5 MK01_HUMAN Gene/Protein Processing [4]
Mitogen-activated protein kinase 3 (MAPK3) OTCYKGKO MK03_HUMAN Gene/Protein Processing [4]
Signal transducer and activator of transcription 3 (STAT3) OTAAGKYZ STAT3_HUMAN Gene/Protein Processing [4]
Substance-P receptor (TACR1) OTCL9OC5 NK1R_HUMAN Gene/Protein Processing [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Multiple myeloma
ICD Disease Classification 2A83
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Fibroblast growth factor receptor 3 (FGFR3) DTT FGFR3 5.83E-03 0.08 0.1
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Emerging therapies for multiple myeloma. Expert Opin Emerg Drugs. 2009 Mar;14(1):99-127.
2 Oncogenic tyrosine kinase of malignant hemopathy targets the centrosome. Cancer Res. 2005 Aug 15;65(16):7231-40. doi: 10.1158/0008-5472.CAN-04-4167.
3 FGFR3 as a therapeutic target of the small molecule inhibitor PKC412 in hematopoietic malignancies. Oncogene. 2005 Dec 15;24(56):8259-67. doi: 10.1038/sj.onc.1208989.
4 Preclinical studies of fibroblast growth factor receptor 3 as a therapeutic target in multiple myeloma. Br J Haematol. 2004 Mar;124(5):595-603. doi: 10.1111/j.1365-2141.2004.04814.x.
5 Regulation of neurokinin-1 receptor messenger RNA expression in synovial fibroblasts of patients with rheumatoid arthritis. Neuropeptides. 2005 Oct;39(5):467-74. doi: 10.1016/j.npep.2005.07.005. Epub 2005 Sep 9.