ILORASERTIB

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6L5D03D975

Structure
InChI Key WPHKIQPVPYJNAX-UHFFFAOYSA-N
Smile Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
InChI
InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H21FN6O2S
Molecular Weight 488.55
AlogP 5.18
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 118.09
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Platelet-derived growth factor receptor inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase DMPK family AGC protein kinase ROCK subfamily
- 456 - - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase AUR family
- 2-12 - - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR Type 1 subfamily
- 363 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family
- 12 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- 188 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase InsR family
- 539 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 16 - 1 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- 7 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 110 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 2-4 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 1000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 2 D009369 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1227939-82-3
ChEMBL CHEMBL1980297
DrugBank DB11694
EPA CompTox DTXSID10153718
FDA SRS 6L5D03D975
Guide to Pharmacology 9914
PubChem 46207586
SureChEMBL SCHEMBL3381224
ZINC ZINC000063298074
CONTENTS