TEMUTERKIB

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

Structure
InChI Key JNPRPMBJODOFEC-UHFFFAOYSA-N
Smile Cn1nccc1Nc1nccc(-c2cc3c(s2)C(C)(C)N(CCN2CCOCC2)C3=O)n1
InChI
InChI=1S/C22H27N7O2S/c1-22(2)19-15(20(30)29(22)9-8-28-10-12-31-13-11-28)14-17(32-19)16-4-6-23-21(25-16)26-18-5-7-24-27(18)3/h4-7,14H,8-13H2,1-3H3,(H,23,25,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H27N7O2S
Molecular Weight 453.57
AlogP 2.71
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 88.41
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Mitogen-activated protein kinase; ERK1/ERK2 inhibitor Other PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 2 D009369 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Glioblastoma 0 D005909 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4650285
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