cyclosporin A


SMILES C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C
InChIKey PMATZTZNYRCHOR-CGLBZJNRSA-N
Sequence XXXLVLAALLV

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 15
Molecular weight (Da) 1201.8

Drug properties

Molecular type Peptide
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Human Tachykinin A pKi 5.86 5.86 5.86 ChEMBL
NK2 NK2R Human Tachykinin A pKi 8.23 8.23 8.23 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
FPR1 FPR1 Human Formylpeptide A pEC50 6.2 6.25 6.3 Guide to Pharmacology
NK2 NK2R Human Tachykinin A pIC50 5.38 5.38 5.38 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 6.0 6.0 6.0 ChEMBL
FPR1 FPR1 Human Formylpeptide A pEC50 8.2 8.2 8.2 Drug Central