ramatroban


SMILES OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F
InChIKey LDXDSHIEDAPSSA-OAHLLOKOSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 416.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 6IIU

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
DP1 PD2R Human Prostanoid A pKi 8.3 8.3 8.3 Drug Central
DP1 PD2R Human Prostanoid A pKi 4.96 4.96 4.96 ChEMBL
DP2 PD2R2 Human Prostanoid A pKi 8.08 8.08 8.08 Drug Central
DP2 PD2R2 Human Prostanoid A pKi 6.47 6.99 8.37 ChEMBL
DP2 PD2R2 Human Prostanoid A pKd 8.1 8.1 8.1 Guide to Pharmacology
DP2 PD2R2 Human Prostanoid A pKi 7.4 7.4 7.4 Guide to Pharmacology
TP TA2R Human Prostanoid A pKi 8.03 8.03 8.03 Drug Central
TP TA2R Human Prostanoid A pKi 7.75 8.45 9.24 ChEMBL
TP TA2R Human Prostanoid A pKi 8.0 8.0 8.0 Guide to Pharmacology
DP2 PD2R2 Mouse Prostanoid A pKi 8.14 8.14 8.14 Drug Central
DP2 PD2R2 Mouse Prostanoid A pKi 7.3 7.3 7.3 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
DP1 PD2R Human Prostanoid A pIC50 4.48 4.48 4.48 ChEMBL
DP2 PD2R2 Human Prostanoid A pIC50 6.12 6.9 7.68 ChEMBL
TP TA2R Human Prostanoid A pIC50 7.85 7.98 8.08 ChEMBL
DP2 PD2R2 Rat Prostanoid A pIC50 8.14 8.14 8.14 Drug Central
DP2 PD2R2 Rat Prostanoid A pIC50 7.3 7.3 7.3 Guide to Pharmacology