TIPIFARNIB

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Synonyms
Status
Molecule Category Free-form
UNII MAT637500A
EPA CompTox DTXSID5041140

Structure

InChI Key PLHJCIYEEKOWNM-HHHXNRCGSA-N
Smiles Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
InChI
InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3/t27-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H22Cl2N4O
Molecular Weight 489.41
AlogP 5.5
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 65.84
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 34.0

Pharmacology

Mechanism of Action Action Reference
Protein farnesyltransferase inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
1.6-100 0.57-7.9 - - 1.6
Enzyme
1.6-100 0.57-7.9 - - 1.6
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- 0.57-8.3 - - -
Homo sapiens
- 0.86-7.9 - - -
Mus musculus
1.6-100 1.7-1.7 - - 1.6-37
Plasmodium falciparum
- 17 - - -
Rattus norvegicus
- 0.7-0.7 - - -
Trypanosoma cruzi
4-4 - - - -

Target Conservation

Protein: Protein farnesyltransferase
Description: Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha
Organism : Homo sapiens
P49354 ENSG00000168522
Protein: Protein farnesyltransferase
Description: Protein farnesyltransferase subunit beta
Organism : Homo sapiens
P49356 ENSG00000257365

Related Entries

Cross References

Resources Reference
ChEBI 141969
ChEMBL CHEMBL289228
DrugBank DB04960
FDA SRS MAT637500A
Guide to Pharmacology 8025
PDB JAN
PubChem 159324
SureChEMBL SCHEMBL21544535
ZINC ZINC000024809155
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