ULIXERTINIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 16ZDH50O1U

Structure
InChI Key KSERXGMCDHOLSS-LJQANCHMSA-N
Smile CC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1
InChI
InChI=1S/C21H22Cl2N4O2/c1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13/h3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29)/t19-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H22Cl2N4O2
Molecular Weight 433.34
AlogP 4.67
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 90.04
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR MAP kinase ERK1 inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PKD family
- - 6336 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase ERK subfamily
- 0.03-4100 0.3162-183 0.04 -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase TAO subfamily
- - 388 - -
Enzyme Transferase
- - - - -1.035-13.54
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -0.86-25.81

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 2 D009369 ClinicalTrials
Uveal Melanoma 2 D000098943 ClinicalTrials
Myelodysplastic Syndromes 1 D009190 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Pancreatic Neoplasms 1 D010190 ClinicalTrials
Paraganglioma 1 D010235 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 869886-67-9
ChEMBL CHEMBL3590106
DrugBank DB13930
FDA SRS 16ZDH50O1U
Guide to Pharmacology 9210
PDB EVK
PubChem 11719003
SureChEMBL SCHEMBL14211742
ZINC ZINC000034642570
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