PIMASERTIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6ON9RK82AL

Structure
InChI Key VIUAUNHCRHHYNE-JTQLQIEISA-N
Smile O=C(NC[C@H](O)CO)c1ccncc1Nc1ccc(I)cc1F
InChI
InChI=1S/C15H15FIN3O3/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21/h1-5,7,10,20-22H,6,8H2,(H,19,23)/t10-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H15FIN3O3
Molecular Weight 431.21
AlogP 1.65
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 94.48
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Dual specificity mitogen-activated protein kinase kinase 1 inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC iota subfamily
- - 10378 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase AUR family
- - - - 10
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE7 family
- 1.81-3.39 29 - -
Enzyme Ligase
- - 11 - -
Enzyme Transferase
- - - - -1.36-33.18
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -3.37-29.62

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Ovarian Neoplasms 2 D010051 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Leukemia, Myeloid, Acute 2 D015470 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Thyroid Neoplasms 1 D013964 ClinicalTrials
Pancreatic Neoplasms 1 D010190 ClinicalTrials
Astrocytoma 1 D001254 ClinicalTrials
Adenocarcinoma 1 D000230 ClinicalTrials
Urinary Bladder Neoplasms 1 D001749 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Carcinoma, Hepatocellular 1 D006528 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1236699-92-5
ChEBI 94793
ChEMBL CHEMBL2107832
DrugBank DB14904
EPA CompTox DTXSID40152870
FDA SRS 6ON9RK82AL
Guide to Pharmacology 7872
PDB QOA
PubChem 44187362
SureChEMBL SCHEMBL2720659
ZINC ZINC000038226009
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