SORAFENIB

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC L01EX02
UNII 9ZOQ3TZI87
EPA CompTox DTXSID7041128

Structure

InChI Key MLDQJTXFUGDVEO-UHFFFAOYSA-N
Smiles CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1
InChI
InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H16ClF3N4O3
Molecular Weight 464.83
AlogP 5.55
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 92.35
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase MAPKAPK family CAMK protein kinase MNK subfamily
- 262 130-250 - -
Enzyme Kinase Protein Kinase CK1 protein kinase group CK1 protein kinase CK1 family
- 250 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK7 subfamily
- - 140-140 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK8 subfamily
- 32.5-206 250-310 - 100
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDKL family
- - 130-490 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase HIPK subfamily
- 100-100 2.7-440 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase ERK subfamily
- 18.1-109.5 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase nmo subfamily
- - 640-640 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase p38 subfamily
- 37.4-400 200-370 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family
- 37.4-400 200-370 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group
- 37.4-400 200-370 - 100
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase AUR family
- - 210-440 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE11 family
- - 99-99 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase SLK subfamily
- - 140-150 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase TAO subfamily
- - 540-540 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE7 family
- - 190 - 37.74
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family
- 80-225.9 130-770 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase DDR family
- 7-36 1.5-313 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 2.96-80 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Eph family
- 0.2-4.62 240-960 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- 4.63-670 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Musk family
- - 130-130 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 1.3-582.7 4.5-860 - 65.81-99.39
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- 6-152.3 7.4-62 - 97
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 60-530 440-510 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tie family
- 0.39-7.85 68-68 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Trk family
- - 600-600 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
500 0.16-950 16-95 0.021-22 68.5-104.2
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase MLK family TKL protein kinase HH498 subfamily
- 100-250 280-280 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase MLK family TKL protein kinase MLK subfamily
- - 6.3-6.3 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase MLK family TKL protein kinase TAK1 subfamily
- - 600-690 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RAF family
3 1-370 230-540 6-38 28.5-101.36
Enzyme Kinase Protein Kinase
3 0.16-950 4.5-860 0.021-22 28.5-101.36
Enzyme Oxidoreductase
- - - - 40-100
Enzyme Protease Serine protease Serine protease SC clan Serine protease S33 family
- 12 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 56-417 93.3
Membrane receptor
- - 240-240 56-417 93.3
Other cytosolic protein
- 32.5-100 310 - 100
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bacteria
- - - - 40-100
Homo sapiens
302-718 0.16-950 1.5-960 0.021-38 0-104.2
Mus musculus
- 6-225.9 - - 50.83
Plasmodium falciparum
- 328-509 - - 87.47
Rattus norvegicus
- 18.39 - - -
Ustilago maydis
- 710 - - -

Related Entries

Cross References

Resources Reference
ChEBI 50924
ChEMBL CHEMBL1336
DrugBank DB00398
DrugCentral 2459
FDA SRS 9ZOQ3TZI87
Human Metabolome Database HMDB0014542
Guide to Pharmacology 5711
PDB BAX
PharmGKB PA7000
PubChem 216239
SureChEMBL SCHEMBL8218
ZINC ZINC000001493878
CONTENTS