Details of the Drug

General Information of Drug (ID: DMUQ0E8)

Drug Name
Tepotinib
Synonyms
1100598-32-0; EMD 1214063; UNII-1IJV77EI07; Tepotinib (EMD 1214063); EMD1214063; 1IJV77EI07; MSC-2156119J; Benzonitrile, 3-[1,6-dihydro-1-[[3-[5-[(1-methyl-4-piperidinyl)methoxy]-2-pyrimidinyl]phenyl]methyl]-6-oxo-3-pyridazinyl]-; C29H28N6O2; Tepotinib [INN]; Benzonitrile, 3-[1,6-Dihydro-1-[[3-[5-[(1-Methyl-4-Piperidinyl)Methoxy]-2-PyriMidinyl]Phenyl]Methyl]-6-Oxo-3-Pyridazinyl]; Benzonitrile, 3-(1,6-dihydro-1-((3-(5-((1-methyl-4-piperidinyl)methoxy)-2-pyrimidinyl)phenyl)methyl)-6-oxo
Indication
Disease Entry ICD 11 Status REF
Non-small-cell lung cancer 2C25 Approved [1]
Hepatocellular carcinoma 2C12.02 Phase 2 [2]
Solid tumour/cancer 2A00-2F9Z Phase 1/2 [3]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 492.6
Logarithm of the Partition Coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 7
ADMET Property
Absorption AUC
The area under the plot of plasma concentration (AUC) of drug is 19.28 mgmin/L [4]
Absorption Cmax
The maximum plasma concentration (Cmax) of drug is 0.085 mg/L [4]
Absorption Tmax
The time to maximum plasma concentration (Tmax) is 143 min [4]
Bioavailability
The bioavailability of drug is 58% [4]
Clearance
The clearance of drug is 23.8 L/h [5]
Elimination
Following oral administration, approximately 85% of the given dose is excreted in the feces with the remainder excreted in the urine [5]
Half-life
The concentration or amount of drug in body reduced by one-half in 32 hours [5]
Metabolism
The drug is metabolized via the CYP3A4 and CYP2C8, with some apparent contribution by unspecified UGT enzymes [5]
Vd
The volume of distribution (Vd) of drug is 1,038 L [5]
Chemical Identifiers
Formula
C29H28N6O2
IUPAC Name
3-[1-[[3-[5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzonitrile
Canonical SMILES
CN1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N
InChI
InChI=1S/C29H28N6O2/c1-34-12-10-21(11-13-34)20-37-26-17-31-29(32-18-26)25-7-3-5-23(15-25)19-35-28(36)9-8-27(33-35)24-6-2-4-22(14-24)16-30/h2-9,14-15,17-18,21H,10-13,19-20H2,1H3
InChIKey
AHYMHWXQRWRBKT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
25171648
CAS Number
1100598-32-0
DrugBank ID
DB15133
TTD ID
D0R8QG
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Proto-oncogene c-Met (MET) TTNDSF4 MET_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Non-small-cell lung cancer
ICD Disease Classification 2C25
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Proto-oncogene c-Met (MET) DTT MET 1.08E-03 -0.24 -0.4
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2021
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 ClinicalTrials.gov (NCT01982955) MSC2156119J With Gefitinib in Subjects With Advanced Non-small Cell Lung Cancer. U.S. National Institutes of Health.
4 Glown
5 FDA Approved Drug Products: Tepmetko (tepotinib) tablets for oral use