CHEMBL2413154


SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
InChIKey MEKSQRMXWZHFIP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 373.2

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
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.19 6.19 6.19 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 7.05 7.05 7.05 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.62 6.62 6.62 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 7.82 7.82 7.82 ChEMBL
H2 HRH2 Human Histamine A pKi 5.67 5.67 5.67 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 7.89 7.89 7.89 ChEMBL
H1 HRH1 Human Histamine A pKi 5.99 5.99 5.99 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.68 7.68 7.68 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.17 8.17 8.17 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.02 7.02 7.02 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.13 7.13 7.13 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.3 5.3 5.3 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 9.82 9.82 9.82 ChEMBL
H1 HRH1 Bovine Histamine A pKi 5.99 5.99 5.99 PDSP Ki database
μ OPRM Bovine Opioid A pKi 5.0 5.0 5.0 PDSP Ki database
β2 ADRB2 Bovine Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
V2 V2R Bovine Vasopressin and oxytocin A pKi 5.0 5.0 5.0 PDSP Ki database
D1 DRD1 Bovine Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2A 5HT2A Bovine 5-Hydroxytryptamine A pKi 5.3 5.3 5.3 PDSP Ki database
κ OPRK Bovine Opioid A pKi 5.0 5.0 5.0 PDSP Ki database
NK2 NK2R Bovine Tachykinin A pKi 5.0 5.0 5.0 PDSP Ki database
D2 DRD2 Bovine Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
α2A ADA2A Bovine Adrenoceptors A pKi 7.02 7.02 7.02 PDSP Ki database
5-HT1D F1MMU1 Bovine 5-Hydroxytryptamine A pKi 7.05 7.05 7.05 PDSP Ki database
5-HT7 E1BD86 Bovine 5-Hydroxytryptamine A pKi 7.89 7.89 7.89 PDSP Ki database
5-HT1A F6Q2H9 Bovine 5-Hydroxytryptamine A pKi 9.82 9.82 9.82 PDSP Ki database
5-HT2B F6QI78 Bovine 5-Hydroxytryptamine A pKi 7.13 7.13 7.13 PDSP Ki database
5-HT1B F1MGM3 Bovine 5-Hydroxytryptamine A pKi 6.19 6.19 6.19 PDSP Ki database
NK1 F1MIX5 Bovine Tachykinin A pKi 5.0 5.0 5.0 PDSP Ki database
H3 F1MML8 Bovine Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
V1B F1ME85 Bovine Vasopressin and oxytocin A pKi 5.0 5.0 5.0 PDSP Ki database
δ F1N083 Bovine Opioid A pKi 5.0 5.0 5.0 PDSP Ki database
CB1 A0A3Q1LGC0 Bovine Cannabinoid A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT5A E1BGY8 Bovine 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
H2 E1BK27 Bovine Histamine A pKi 5.67 5.67 5.67 PDSP Ki database
D3 A0A4W2FUW7 Hybrid cattle Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2C A0A4W2GLI9 Hybrid cattle 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
H4 E1BBS2 Bovine Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
NTS1 F1MWG2 Bovine Neurotensin A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1E F1MB93 Bovine 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
CB2 E1B9P2 Bovine Cannabinoid A pKi 5.0 5.0 5.0 PDSP Ki database
D4 A0A4W2DTC1 Hybrid cattle Dopamine A pKi 7.66 7.66 7.66 PDSP Ki database
V1A F6PV87 Bovine Vasopressin and oxytocin A pKi 5.0 5.0 5.0 PDSP Ki database
α2C A0A3Q1LQ48 Bovine Adrenoceptors A pKi 7.81 7.81 7.81 PDSP Ki database
5-HT6 E1BE22 Bovine 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 10.0 10.0 10.0 ChEMBL