MITOXANTRONE


SMILES O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21
InChIKey KKZJGLLVHKMTCM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 8
Rotatable bonds 12
Molecular weight (Da) 444.2

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
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 7.05 7.05 7.05 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 7.11 7.11 7.11 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.74 6.74 6.74 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.73 5.73 5.73 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.24 8.24 8.24 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.17 8.17 8.17 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.15 8.15 8.15 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.15 8.15 8.15 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.75 5.03 5.3 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 6.19 6.19 6.19 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 6.66 6.66 6.66 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 6.13 6.13 6.13 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 5.45 5.45 5.45 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 5.0 5.0 5.0 ChEMBL