lanepitant


SMILES COc1ccccc1CN(C(=O)C)C[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)CN1CCC(CC1)N1CCCCC1
InChIKey CVXJAPZTZWLRBP-MUUNZHRXSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 559.4

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
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.12 6.12 6.12 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.53 6.53 6.53 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.86 6.86 6.86 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.72 6.72 6.72 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.72 6.72 6.72 Guide to Pharmacology
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 7.52 7.52 7.52 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 7.52 7.52 7.52 Guide to Pharmacology
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.86 6.86 6.86 Guide to Pharmacology
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.53 6.53 6.53 Guide to Pharmacology
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.12 6.12 6.12 Guide to Pharmacology
H1 HRH1 Human Histamine A pKi 7.16 7.16 7.16 ChEMBL
H1 HRH1 Human Histamine A pKi 7.16 7.16 7.16 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TSH TSHR Human Glycoprotein hormone A Potency 4.4 4.4 4.4 ChEMBL