PPTN


SMILES OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F
InChIKey FOECKIWHCOYYFL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 475.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y14 P2Y14 Human P2Y A pKi 10.1 10.1 10.1 Guide to Pharmacology
P2Y14 P2Y14 Rat P2Y A pKi 9.4 9.4 9.4 ChEMBL
P2Y14 P2Y14 Mouse P2Y A pKi 7.46 7.46 7.46 ChEMBL
P2Y14 P2Y14 Human P2Y A pKi 7.46 8.7 9.37 ChEMBL
D3 DRD3 Rat Dopamine A pKi 5.17 5.17 5.17 ChEMBL
D5 DRD5 Human Dopamine A pKi 5.55 5.69 5.98 ChEMBL
CysLT1 CLTR1 Human Leukotriene A pKi 6.64 6.64 6.64 ChEMBL
NTS1 NTR1 Human Neurotensin A pKi 5.16 5.16 5.16 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.94 5.94 5.94 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.49 5.49 5.49 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.59 5.59 5.59 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.0 6.0 6.0 ChEMBL
AT1 AGTR1 Human Angiotensin A pKi 5.26 5.26 5.26 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.66 5.66 5.66 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 5.14 5.4 5.54 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.48 5.48 5.48 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.82 5.82 5.82 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.0 5.0 5.0 ChEMBL
δ OPRD Human Opioid A pKi 5.56 5.56 5.56 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.4 5.5 5.6 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.17 5.78 6.05 ChEMBL
κ OPRK Human Opioid A pKi 5.49 5.49 5.49 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.92 5.92 5.92 ChEMBL
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.62 5.62 5.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y14 P2Y14 Mouse P2Y A pIC50 7.67 7.67 7.67 ChEMBL
FPR3 FPR3 Human Formylpeptide A pIC50 5.42 5.42 5.42 ChEMBL
GPR183 GP183 Human Orphan A pIC50 5.36 5.36 5.36 ChEMBL
P2Y14 P2Y14 Human P2Y A pIC50 7.72 8.55 9.4 ChEMBL
CysLT1 CLTR1 Human Leukotriene A pIC50 6.25 6.25 6.25 ChEMBL
GPR35 GPR35 Human Orphan A pIC50 5.44 5.44 5.44 ChEMBL
NTS1 NTR1 Human Neurotensin A pIC50 5.06 5.06 5.06 ChEMBL
FPR1 FPR1 Human Formylpeptide A pIC50 5.25 5.25 5.25 ChEMBL
GPR119 GP119 Human GPR18, GPR55 and GPR119 A pIC50 5.47 5.47 5.47 ChEMBL
SST4 SSR4 Human Somatostatin A pIC50 5.28 5.28 5.28 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 5.16 5.16 5.16 ChEMBL
AT1 AGTR1 Human Angiotensin A pIC50 5.15 5.18 5.2 ChEMBL
β3 ADRB3 Human Adrenoceptors A pIC50 5.02 5.02 5.02 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.39 5.39 5.39 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 5.38 5.38 5.38 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 5.36 5.36 5.36 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 5.15 5.15 5.15 ChEMBL
D3 DRD3 Human Dopamine A pIC50 5.1 5.1 5.1 ChEMBL
κ OPRK Human Opioid A pIC50 5.09 5.09 5.09 ChEMBL
EP3 PE2R3 Human Prostanoid A pIC50 5.03 5.03 5.03 ChEMBL
ADGRF1 AGRF1 Human ADGRF B2 pIC50 5.49 5.49 5.49 ChEMBL