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Compound Detail

CHEMBL61946

CARAMIPHEN
🧪 Phase II
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🧪 Phase II
CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL61946
Name CARAMIPHEN
Phase Phase II
Structure Type MOL
InChI Key OFAIGZWCDGNZGT-UHFFFAOYSA-N

Known Names

Caramifeno Caramiphen Caramiphene
7
Targets
11
Activities
1
Assay Types
0
PK Parameters
20
Publications
3
Known Names

Molecular Properties

289.4
MW (Da)
3.38
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C18H27NO2
MW 289.42
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.71

Activity Summary

Ki 11 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M1
CHEMBL276
 Ki 8.92 8.92 1.2 2
Unchecked
CHEMBL612545
 Ki 8.14 8.14 7.2 1
Sigma non-opioid intracellular receptor 1
CHEMBL287
 Ki 7.81 7.695 15.5 2
Lysosomal Pro-X carboxypeptidase
CHEMBL2335
 Ki 7.58 7.58 26.0 1
Muscarinic acetylcholine receptor M2
CHEMBL309
 Ki 7.5 7.5 31.7 2
Sigma 2 receptor
CHEMBL613288
 Ki 6.18 6.18 658.0 1
Sodium-dependent dopamine transporter
CHEMBL338
 Ki 5.29 5.285 5180.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor M1 Ki = 1.21 nM 8.92 Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat... 1920350
Muscarinic acetylcholine receptor M1 Ki = 1.2 nM 8.92 Binding affinity was measured against muscarinic (M1) receptor in rat using [3H]... 8027978
Unchecked Ki = 7.2 nM 8.14 Inhibition of muscarinic acetylcholine receptor in rat cortex 23523385
Sigma non-opioid intracellular receptor 1 Ki = 15.5 nM 7.81 Binding affinity against Sigma receptor type 1 was determined by the displacemen... 12801223
Lysosomal Pro-X carboxypeptidase Ki = 26.0 nM 7.58 Inhibition of [3H]- (+) - pentazocine binding to PCP receptor obtained from tiss... 9484497
Sigma non-opioid intracellular receptor 1 Ki = 26.0 nM 7.58 The compound was evaluated for affinity at sigma-1 site by inhibition of [3H](+)... 8027978
Muscarinic acetylcholine receptor M2 Ki = 31.7 nM 7.5 Displacement of [3H](-)-quinuclidinyl benzilate(QNB) from muscarinic (M2) recept... 1920350
Muscarinic acetylcholine receptor M2 Ki = 32.0 nM 7.5 Binding affinity was measured against muscarinic (M2) receptor in rat using [3H]... 8027978
Sigma 2 receptor Ki = 658.0 nM 6.18 Affinity at sigma-2 site by inhibition of [3H]1,3-di(2-tolyl)guanidine (DTG) bin... 8027978
Sodium-dependent dopamine transporter Ki = 5180.0 nM 5.29 Binding affinity against dopamine transporter was determined by the displacement... 12801223
Sodium-dependent dopamine transporter Ki = 5248.07 nM 5.28 Binding affinity to dopamine transporter (DAT) using [3H]WIN-35428 as a radiolig... 11063611

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL3301361 No relevant target 2
8027978 10.1021/jm00039a008 Glutamate NMDA receptor 2
8027978 10.1021/jm00039a008 D(2) dopamine receptor 1
23523385 10.1016/j.bmc.2013.01.072 Unchecked 1
11063611 10.1021/jm990472s Sodium-dependent dopamine transporter 1
12873507 10.1016/s0960-894x(03)00535-3 Unchecked 1
8027978 10.1021/jm00039a008 Muscarinic acetylcholine receptor M2 1
8027978 10.1021/jm00039a008 Muscarinic acetylcholine receptor M1 1
12801223 10.1021/jm030008u Sodium-dependent dopamine transporter 1
8027978 10.1021/jm00039a008 D(1A) dopamine receptor 1
8027978 10.1021/jm00039a008 Sigma 2 receptor 1
8027978 10.1021/jm00039a008 Sigma non-opioid intracellular receptor 1 1
1920350 10.1021/jm00114a005 Muscarinic receptor M1 and M2 1
1920350 10.1021/jm00114a005 Muscarinic acetylcholine receptor M2 1
1920350 10.1021/jm00114a005 Muscarinic acetylcholine receptor M1 1
9484497 10.1021/jm970059p Lysosomal Pro-X carboxypeptidase 1
12801223 10.1021/jm030008u Unchecked 1

Data from ChEMBL 36 via Core Engine