R-954


SMILES NCCC[C@@H](C(=O)N[C@H](C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)Cc1ccc2c(c1)cccc2)CO)(Cc1ccccc1)C)CCCN=C(N)N)NC(=O)C
InChIKey JDPPVMXSBUBLMX-IRXBPQMASA-N
Sequence None

Chemical properties

Hydrogen bond acceptors None
Hydrogen bond donors None
Rotatable bonds None
Molecular weight (Da)

Drug properties

Molecular type Peptide
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
AT1 AGTR1 Human Angiotensin A pKi 5.33 6.92 8.52 ChEMBL
AT1 AGTR1 Human Angiotensin A pKi 8.27 8.27 8.27 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
BLT2 LT4R2 Human Leukotriene A pEC50 4.8 4.8 4.8 ChEMBL
AT1 AGTRA Rat Angiotensin A pIC50 8.47 8.47 8.47 ChEMBL
AT1 AGTRB Rat Angiotensin A pIC50 8.72 8.72 8.72 ChEMBL
AT1 AGTR1 Human Angiotensin A pIC50 8.13 8.35 8.57 ChEMBL
AT1 AGTR1 Human Angiotensin A pIC50 8.8 8.75 9.0 Guide to Pharmacology
AT1 AGTRB Rat Angiotensin A pIC50 8.06 8.06 8.06 Drug Central
AT1 AGTRA Rat Angiotensin A pIC50 8.07 8.07 8.07 Drug Central