ATRASENTAN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: Parent
UNII: V6D7VK2215

Structure
InChI Key MOTJMGVDPWRKOC-QPVYNBJUSA-N
Smile CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1
InChI
InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H38N2O6
Molecular Weight 510.63
AlogP 4.69
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 12.0
Polar Surface Area 88.54
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 37.0

Pharmacology

Primary Target
ETA receptor
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) Endothelin receptor
- 0-2 - 0-0 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetic Nephropathies 3 D003928 ClinicalTrials
Prostatic Neoplasms 3 D011471 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 3 D064129 ClinicalTrials
Glomerulonephritis, IGA 3 D005922 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 173937-91-2
ChEBI 135810
ChEMBL CHEMBL9194
DrugBank DB06199
FDA SRS V6D7VK2215
Guide to Pharmacology 3487
PubChem 159594
SureChEMBL SCHEMBL34654
ZINC ZINC000003812144
CONTENTS