CHEMBL505612


SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(N)=O
InChIKey FPBKUJNEPWZHDM-ZDFJWDELSA-N

Chemical properties

Hydrogen bond acceptors 27
Hydrogen bond donors 27
Rotatable bonds 66
Molecular weight (Da) 2135.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
PTH1 PTH1R Rat Parathyroid hormone B1 pEC50 6.6 6.6 6.6 ChEMBL
PTH1 PTH1R Human Parathyroid hormone B1 pIC50 4.99 4.99 4.99 ChEMBL
PTH1 PTH1R Human Parathyroid hormone B1 pEC50 6.0 6.64 7.28 ChEMBL