N-methyl scopolamine


SMILES OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3
InChIKey LZCOQTDXKCNBEE-XJMZPCNVSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 318.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 4U16 5YC8 5ZK8 5ZKC
Ligand site mutations M1 M2 M3 M4

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
DP1 PD2R Human Prostanoid A pKi 5.8 5.8 5.8 Guide to Pharmacology
EP1 PE2R1 Human Prostanoid A pKi 5.9 5.95 6.0 Guide to Pharmacology
EP2 PE2R2 Human Prostanoid A pKi 5.9 5.9 5.9 Guide to Pharmacology
EP3 PE2R3 Human Prostanoid A pKi 5.8 5.8 5.8 Guide to Pharmacology
EP1 PE2R1 Rat Prostanoid A pKi 5.9 5.9 5.9 Guide to Pharmacology
EP2 PE2R2 Rat Prostanoid A pKi 6.3 6.3 6.3 Guide to Pharmacology
EP2 PE2R2 Mouse Prostanoid A pKi 6.5 6.5 6.5 Guide to Pharmacology
EP2 PE2R2 Mouse Prostanoid A pKi 6.46 6.46 6.46 PDSP Ki database
EP3 PE2R3 Human Prostanoid A pKi 5.8 5.8 5.8 PDSP Ki database
EP4 PE2R4 Human Prostanoid A pKi 5.0 5.47 5.94 PDSP Ki database
FP PF2R Human Prostanoid A pKi 5.0 5.0 5.0 PDSP Ki database
IP PI2R Human Prostanoid A pKi 5.0 5.0 5.0 PDSP Ki database
DP1 PD2R Human Prostanoid A pKi 5.85 5.85 5.85 PDSP Ki database
DP1 PD2R Human Prostanoid A pKi 5.85 5.85 5.85 ChEMBL
EP1 PE2R1 Human Prostanoid A pKi 5.91 5.91 5.91 PDSP Ki database
EP1 PE2R1 Human Prostanoid A pKi 5.92 5.92 5.92 ChEMBL
EP2 PE2R2 Human Prostanoid A pKi 5.94 5.94 5.94 ChEMBL
EP3 PE2R3 Human Prostanoid A pKi 5.8 5.8 5.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database