| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 39 | Yes |
Popular Name: Telmisartan Telmisartan
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 144701-48-4 , [144701-48-4]
144701-48-4; C07710; Telmisartan
144701-48-4; D00627; Micardis (TN); Telmisartan (JAN/USAN/INN)
2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
4'-((1,7'-Dimethyl-2'-propyl-1H,3'H-[2,5'-bibenzo[d]imidazol]-3'-yl)methyl)-[1,1'-biphenyl]-2-carbox
4'-(1,7'-Dimethyl-2'-propyl-1H-[2,5']bibenzoimidazolyl-3'-ylmethyl)-biphenyl-2-c
4'-(1,7'-Dimethyl-2'-propyl-1H-[2,5']bibenzoimidazolyl-3'-ylmethyl)-biphenyl-2-carboxylic acid
4'-[(1,4'-dimethyl-2'propyl[2,6'-bi-1H-benzimidazol]-1'-yl)methyl]-[1,1'-biphenyl]-2-carboxylic acid
4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]biphenyl-2-carboxylic acid
Boehringer Ingelheim brand of telmisartan
C33H30N4O2.C7H8ClN3O4S2; HYDROCHLOROTHIAZIDE; TELMISARTAN; LS-178585; MICARDIS HCT
CPD000466326; SAM001246602; TELMISARTAN
CPD000466326; SAM001246602; Telmisartan; Telmisartan [INN]
DIMETHYLPROPYLBIBENZOIMIDAZOLYLMETHYLBIPHENYLCARBO
DIMETHYLPROPYLBIBENZOIMIDAZOLYLMETHYLBIPHENYLCARBOXYLICACI
Glaxo Wellcome brand of telmisartan
GlaxoSmithKline brand of telmisartan
| 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) | 7.60 | 19.21 | -66.32 | 0 | 6 | -1 | 76 | 513.621 | 7 | ↓ |
| Mid Mid (pH 6-8) | 7.60 | 19.62 | -59.12 | 1 | 6 | 0 | 77 | 514.629 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 7.60 | 19.88 | -93.84 | 2 | 6 | 1 | 78 | 515.637 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_use | Antihypertensive agent | ZereneX Building Blocks |
| ALOGPS_SOLUBILITY | 3.50e-03 g/l | DrugBank-approved |
| Purity | 95+% | Matrix Scientific |
| Purity | 99% | APIChem |
| mechanism | Angiotensin II (AT 1 ) receptor antagonist | IBScreen Bioactives |
| Indications | antihypertensive | KeyOrganics Bioactives |
| biological_use | Antihypertensive agent | IBScreen Bioactives |
| Therapy | antihypertensive, angiotensin II blocker | SMDC Iconix |
| Patent Database Links | EP1197226; EP1262180; EP1329218; EP1356815; EP1541175; EP1553091; EP1559424; EP1579862; EP1579872; EP1611886; EP1627638; EP1629835; EP1671632; EP1723962; EP1731169; EP1733729; EP1746099; EP1776954; EP1785144; EP1787647; EP1797872; EP1832576; EP1839660; EP | ChEBI |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01192t | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| Target | RAAS | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01192t | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AGTR1-1-E | Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3 | 0.31 | Binding ≤ 10μM |
| AGTRA-1-E | Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| AGTRB-1-E | Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.31 | Binding ≤ 10μM |
| PPARG-1-E | Peroxisome Proliferator-activated Receptor Gamma (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3400 | 0.20 | Binding ≤ 10μM |
| PPARG-1-E | Peroxisome Proliferator-activated Receptor Gamma (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4060 | 0.19 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AGTR1_HUMAN | P30556 | Angiotensin II Type 1 Receptor, Human | 0.49 | 0.33 | Binding ≤ 1μM |
| AGTRA_RAT | P25095 | Angiotensin II Type 1a (AT-1a) Receptor, Rat | 0.23 | 0.35 | Binding ≤ 1μM |
| AGTRB_RAT | P29089 | Angiotensin II Type 1b (AT-1b) Receptor, Rat | 3 | 0.31 | Binding ≤ 1μM |
| AGTR1_HUMAN | P30556 | Angiotensin II Type 1 Receptor, Human | 0.49 | 0.33 | Binding ≤ 10μM |
| AGTRA_RAT | P25095 | Angiotensin II Type 1a (AT-1a) Receptor, Rat | 0.23 | 0.35 | Binding ≤ 10μM |
| AGTRB_RAT | P29089 | Angiotensin II Type 1b (AT-1b) Receptor, Rat | 3 | 0.31 | Binding ≤ 10μM |
| PPARG_HUMAN | P37231 | Peroxisome Proliferator-activated Receptor Gamma, Human | 1520 | 0.21 | Binding ≤ 10μM |
| PPARG_MOUSE | P37238 | Peroxisome Proliferator-activated Receptor Gamma, Mouse | 4060 | 0.19 | Functional ≤ 10μM |
| PPARG_HUMAN | P37231 | Peroxisome Proliferator-activated Receptor Gamma, Human | 2020 | 0.20 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Nuclear Receptor transcription pathway | |
| Peptide ligand-binding receptors | |
| PPARA activates gene expression | |
| Transcriptional regulation of white adipocyte differentiation |
