TIRILAZAD


SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1
InChIKey RBKASMJPSJDQKY-RBFSKHHSSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 624.4

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2C ADA2C Human Adrenoceptors A pKi 5.94 5.94 5.94 ChEMBL
H2 HRH2 Human Histamine A pKi 4.86 4.86 4.86 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 4.93 4.93 4.93 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 4.81 4.81 4.81 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.42 6.42 6.42 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.24 6.24 6.24 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 8.32 8.32 8.32 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.31 8.31 8.31 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.23 8.23 8.23 Drug Central
H2 HRH2 Human Histamine A pKi 8.31 8.31 8.31 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2C ADA2C Human Adrenoceptors A pIC50 5.1 5.1 5.1 ChEMBL
H2 HRH2 Human Histamine A pIC50 4.85 4.85 4.85 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 4.73 4.73 4.73 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 4.64 4.64 4.64 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 6.14 6.14 6.14 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 5.7 5.7 5.7 ChEMBL