TOMIVOSERTIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: U2H19X4WBV

Structure
InChI Key HKTBYUWLRDZAJK-UHFFFAOYSA-N
Smile Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1
InChI
InChI=1S/C17H20N6O2/c1-10-7-11(21-13-8-12(18)19-9-20-13)16(25)23-14(10)15(24)22-17(23)5-3-2-4-6-17/h7-9H,2-6H2,1H3,(H,22,24)(H3,18,19,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H20N6O2
Molecular Weight 340.39
AlogP 1.63
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 114.93
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR MAP kinase-interacting serine/threonine-protein kinase 1/2 inhibitor Other ClinicalTrials Other Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase DAPK family
- 131 - - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase MAPKAPK family CAMK protein kinase MNK subfamily
- 1-2 - 3 88
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CLK family
- 787 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 2 D009369 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4073443
DrugBank DB15219
FDA SRS U2H19X4WBV
Guide to Pharmacology 10167
PDB N45
PubChem 118598754
SureChEMBL SCHEMBL17362622
ZINC ZINC000575623807
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