MAPROTILINE


SMILES CNCCCC12CCC(c3ccccc31)c1ccccc12
InChIKey QSLMDECMDJKHMQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 277.2

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
D5 DRD5 Human Dopamine A pKi 6.37 6.37 6.37 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKi 7.05 7.05 7.05 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 6.64 6.64 6.64 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.71 6.71 6.71 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.88 6.88 6.88 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.94 6.94 6.94 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.36 6.36 6.36 ChEMBL
H2 HRH2 Human Histamine A pKi 6.41 6.41 6.41 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 7.24 7.24 7.24 ChEMBL
H1 HRH1 Human Histamine A pKi 8.78 8.88 8.99 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 7.0 7.0 7.0 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.17 6.17 6.17 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.4 6.57 6.73 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.38 6.38 6.38 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.67 6.67 6.67 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.16 6.16 6.16 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.39 7.39 7.39 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.84 6.84 6.84 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.3 6.48 6.66 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.75 7.75 7.75 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.94 6.06 6.18 ChEMBL
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 7.29 7.29 7.29 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 6.91 6.91 6.91 PDSP Ki database
H1 HRH1 Human Histamine A pKi 8.78 8.94 9.1 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 6.4 6.4 6.4 PDSP Ki database
H3 HRH3 Human Histamine A pKi 6.0 6.0 6.0 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 6.3 6.3 6.3 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 6.37 6.37 6.37 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.16 8.16 8.16 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.18 8.18 8.18 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.13 8.13 8.13 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.16 8.16 8.16 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.21 8.21 8.21 Drug Central
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.15 8.15 8.15 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.14 8.14 8.14 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.16 8.16 8.16 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.17 8.17 8.17 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.21 8.21 8.21 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.16 8.16 8.16 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.2 8.2 8.2 Drug Central
D1 DRD1 Human Dopamine A pKi 8.2 8.2 8.2 Drug Central
D2 DRD2 Human Dopamine A pKi 8.21 8.21 8.21 Drug Central
D3 DRD3 Human Dopamine A pKi 8.2 8.2 8.2 Drug Central
D5 DRD5 Human Dopamine A pKi 8.2 8.2 8.2 Drug Central
H1 HRH1 Human Histamine A pKi 8.06 8.06 8.06 Drug Central
H2 HRH2 Human Histamine A pKi 8.19 8.19 8.19 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 8.15 8.15 8.15 Drug Central
D2 DRD2 Human Dopamine A pKi 6.18 6.18 6.18 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Rat Adrenoceptors A pIC50 6.79 6.79 6.79 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 6.25 6.25 6.25 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 5.35 5.5 5.65 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 6.4 6.4 6.4 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 6.54 6.54 6.54 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 6.8 6.8 6.8 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 5.52 5.52 5.52 ChEMBL
H2 HRH2 Human Histamine A pIC50 6.4 6.4 6.4 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 6.38 6.38 6.38 ChEMBL
H1 HRH1 Human Histamine A pIC50 8.06 8.06 8.06 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 6.33 6.33 6.33 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.74 5.74 5.74 ChEMBL
D1 DRD1 Human Dopamine A pIC50 6.43 6.43 6.43 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 6.05 6.05 6.05 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 6.47 6.47 6.47 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 5.71 5.71 5.71 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 7.11 7.11 7.11 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 6.23 6.23 6.23 ChEMBL
D3 DRD3 Human Dopamine A pIC50 6.19 6.19 6.19 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 7.19 7.19 7.19 ChEMBL
D2 DRD2 Human Dopamine A pIC50 5.46 5.46 5.46 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.4 4.6 4.8 ChEMBL
α1A ADA1A Human Adrenoceptors A pIC50 8.01 8.01 8.01 Drug Central
α1A ADA1A Rat Adrenoceptors A pIC50 8.2 8.2 8.2 Drug Central