General Information of the Compound
Compound ID
CP0330253
Compound Name
5-Isopropyl-pyridine-2-sulfonic acid {6-(2-hydroxy-ethoxy)-5-(2-methoxy-phenoxy)-2-[2-(1H-tetrazol-5-yl)-pyridin-4-yl]-pyrimidin-4-yl}-amide
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Synonyms
180384-57-0
2-Pyridinesulfonamide, N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(2-(1H-tetrazol-5-yl)-4-pyridinyl)-4-pyrimidinyl)-5-(1-methylethyl)-
64J9J55263
CHEMBL61780
N-(2-(2-(2H-Tetrazol-5-yl)pyridin-4-yl)-6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl)-5-isopropylpyridine-2-sulfonamide
N-(6-(2-Hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(2-(1H-tetrazol-5-yl)-4-pyridinyl)-4-pyrimidinyl)-5-(1-methylethyl)-2-pyridinesulfonamide
Tezosentan
Tezosentan [INN]
UNII-64J9J55263
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Structure
Formula
C27H27N9O6S
Molecular Weight
605.637
Canonical SMILES
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCCO)-c1ccnc(c1)-c1nnn[nH]1
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InChI
InChI=1S/C27H27N9O6S/c1-16(2)18-8-9-22(29-15-18)43(38,39)34-26-23(42-21-7-5-4-6-20(21)40-3)27(41-13-12-37)31-24(30-26)17-10-11-28-19(14-17)25-32-35-36-33-25/h4-11,14-16,37H,12-13H2,1-3H3,(H,30,31,34)(H,32,33,35,36)
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InChIKey
TUYWTLTWNJOZNY-UHFFFAOYSA-N
CAS
180384-57-0
Physicochemical Property
logP
3.2099
Rotatable Bonds
12
Heavy Atom Count
43
Polar Areas
200.11
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
13
Complexity
43

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 151174
SID: 14789429
ChEMBL ID
CHEMBL61780
DrugBank ID
DB06558
Clinical Information about the Compound
Drug 1 ( Tezosentan )
Drug Name Tezosentan
Company Actelion Pharmaceuticals
Indication
Cardiac disease
Phase 3