| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 37 | Yes |
Popular Name: Atrasentan Atrasentan
Find On: PubMed — Wikipedia — Google
CAS Numbers: 173937-91-2 , 195733-43-8
195733-43-8; Atrasentan hydrochloride (USAN); D03009
A-127722; A-147627.1; ABBOT-147627; ABT-627
Atrasentan (INN); Atrasentan HCl (USAN)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 5.64 | 1.68 | -51.98 | 1 | 8 | 0 | 92 | 510.631 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA-1-E | Endothelin Receptor ET-A (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2 | 0.33 | Binding ≤ 10μM |
| EDNRB-1-E | Endothelin B Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 520 | 0.24 | Binding ≤ 10μM |
| EDNRA-1-E | Endothelin Receptor ET-A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Functional ≤ 10μM |
| EDNRB-1-E | Endothelin Receptor ET-B (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 0.1 | 0.38 | Binding ≤ 1μM |
| EDNRA_HUMAN | P25101 | Endothelin Receptor ET-A, Human | 0.1 | 0.38 | Binding ≤ 1μM |
| EDNRB_PIG | P35463 | Endothelin Receptor ET-B, Pig | 110 | 0.26 | Binding ≤ 1μM |
| EDNRB_HUMAN | P24530 | Endothelin Receptor ET-B, Human | 515 | 0.24 | Binding ≤ 1μM |
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 0.1 | 0.38 | Binding ≤ 10μM |
| EDNRA_HUMAN | P25101 | Endothelin Receptor ET-A, Human | 0.1 | 0.38 | Binding ≤ 10μM |
| EDNRB_PIG | P35463 | Endothelin Receptor ET-B, Pig | 110 | 0.26 | Binding ≤ 10μM |
| EDNRB_HUMAN | P24530 | Endothelin Receptor ET-B, Human | 515 | 0.24 | Binding ≤ 10μM |
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 0.1 | 0.38 | Functional ≤ 10μM |
| EDNRB_RAT | P21451 | Endothelin Receptor ET-B, Rat | 0.1 | 0.38 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
