ANGIOTENSIN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Protein
Molecule Category: UNKNOWN

Structure
InChI Key JSQIKKVBLLHQSQ-AWJAZODESA-N
Smile CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C
InChI
InChI=1S/C43H65N13O12/c1-21(2)33(54-36(61)28(8-6-14-48-43(45)46)51-35(60)27(44)18-32(58)59)39(64)52-29(16-24-10-12-26(57)13-11-24)37(62)55-34(22(3)4)40(65)53-30(17-25-19-47-20-49-25)41(66)56-15-7-9-31(56)38(63)50-23(5)42(67)68/h10-13,19-23,27-31,33-34,57H,6-9,14-18,44H2,1-5H3,(H,47,49)(H,50,63)(H,51,60)(H,52,64)(H,53,65)(H,54,61)(H,55,62)(H,58,59)(H,67,68)(H4,45,46,48)/t23-,27-,28-,29-,30-,31-,33-,34-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C43H65N13O12
Molecular Weight 956.07
AlogP -2.72
Hydrogen Bond Acceptor 13.0
Hydrogen Bond Donor 14.0
Number of Rotational Bond 26.0
Polar Surface Area 406.34
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 68.0

Pharmacology

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) Angiotensin receptor
- 0 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension 3 D006973 ClinicalTrials
Renal Insufficiency, Chronic 3 D051436 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2391146
ZINC ZINC000169299763
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