CHEMBL103769


SMILES S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1
InChIKey UREJDUPKGMFJRU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 11
Molecular weight (Da) 554.0

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
D5 DRD5 Human Dopamine A pKi 5.7 5.7 5.7 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.98 5.98 5.98 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.69 5.69 5.69 ChEMBL
SST2 SSR2 Human Somatostatin A pKi 5.58 6.0 6.21 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.77 5.77 5.77 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.29 6.29 6.29 ChEMBL
SST4 SSR4 Human Somatostatin A pKi 6.83 7.85 8.22 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.27 6.27 6.27 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.31 6.31 6.31 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.81 5.81 5.81 ChEMBL
H1 HRH1 Human Histamine A pKi 6.19 6.19 6.19 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.29 6.29 6.29 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.75 6.75 6.75 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.88 5.88 5.88 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.76 5.76 5.76 ChEMBL
H3 HRH3 Human Histamine A pKi 6.98 6.98 6.98 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.6 6.6 6.6 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.59 5.59 5.59 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.19 6.19 6.19 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.69 6.69 6.69 ChEMBL
κ OPRK Human Opioid A pKi 5.95 5.95 5.95 ChEMBL
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.81 5.81 5.81 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR183 GP183 Human Orphan A pIC50 5.48 5.48 5.48 ChEMBL
GPR35 GPR35 Human Orphan A pIC50 5.22 5.22 5.22 ChEMBL
FPR1 FPR1 Human Formylpeptide A pIC50 5.45 5.46 5.47 ChEMBL
GPR119 GP119 Human GPR18, GPR55 and GPR119 A pIC50 5.48 5.48 5.48 ChEMBL
SST4 SSR4 Human Somatostatin A pEC50 7.55 7.55 7.55 ChEMBL
AT1 AGTR1 Human Angiotensin A pIC50 5.32 5.32 5.32 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.55 5.55 5.55 ChEMBL
apelin APJ Human Apelin A pIC50 5.39 5.39 5.39 ChEMBL