TALNETANT

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Synonyms
Status
Molecule Category Free-form
UNII CZ3T9T146K

Structure

InChI Key BIAVGWDGIJKWRM-FQEVSTJZSA-N
Smiles CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1
InChI
InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H22N2O2
Molecular Weight 382.46
AlogP 5.49
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 62.22
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Neurokinin 3 receptor antagonist ANTAGONIST PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Neurokinin receptor
- 2.4-16.6 2.344-229.09 1-254 -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- - - - 12
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - 12.3-15.49 3.8-5 -
Gerbillinae
- - - 19.95 -
Homo sapiens
- 2.4-16.6 2.344-229.09 1.7-122 12
Rattus norvegicus
- - - 190-199.53 -

Target Conservation

Protein: Neurokinin 3 receptor
Description: Neuromedin-K receptor
Organism : Homo sapiens
P29371 ENSG00000169836

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL10188
FDA SRS CZ3T9T146K
Guide to Pharmacology 2132
PubChem 5311424
SureChEMBL SCHEMBL74220
ZINC ZINC000001543566
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