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Compound Detail

CHEMBL287868

AZAPROPHEN
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CN1CC2CC(OC(=O)C(C)(c3ccccc3)c3ccccc3)CC1C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL287868
Name AZAPROPHEN
Phase Preclinical
Structure Type MOL
InChI Key WOMCGBFNBSIIEA-UHFFFAOYSA-N
7
Targets
9
Activities
3
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

349.5
MW (Da)
4.02
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27NO2
MW 349.47
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.19

Activity Summary

Ki 7 meas. best 10.06
IC50 1 meas. best 10.17
Kd 1 meas. best 10.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cavia porcellus
CHEMBL369
 Kd 10.4 10.4 0.0 1
Rattus norvegicus
CHEMBL376
 IC50 10.17 10.17 0.1 1
Muscarinic acetylcholine receptor M1
CHEMBL216
 Ki 10.06 10.06 0.1 1
Unchecked
CHEMBL612545
 Ki 9.93 9.8433 0.1 3
Muscarinic acetylcholine receptor
CHEMBL2094109
 Ki 9.57 9.57 0.3 1
Muscarinic acetylcholine receptors; M1 & M2
CHEMBL2095219
 Ki 9.55 9.55 0.3 1
Muscarinic acetylcholine receptor M2
CHEMBL211
 Ki 9.33 9.33 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cavia porcellus Kd = 0.03981 nM 10.4 Antimuscarinic activity was assayed for its ability to block the acetyl-choline ... 3494849
Rattus norvegicus IC50 = 0.068 nM 10.17 Inhibition of carbachol-induced release of alpha-amylase from pancreatic acini f... 3494849
Muscarinic acetylcholine receptor M1 Ki = 0.088 nM 10.06 Inhibition of [3H]QNB binding to CHO cells bearing transfected muscarinic acetyl... 2016720
Unchecked Ki = 0.118 nM 9.93 Inhibition of [3H]QNB binding towards muscarinic acetylcholine receptor in rat b... 2016720
Unchecked Ki = 0.13 nM 9.89 Inhibition of [3H]QNB binding towards muscarinic acetylcholine receptor in rat h... 2016720
Unchecked Ki = 0.196 nM 9.71 Inhibition of [3H]pirenzepine binding towards muscarinic acetylcholine receptor ... 2016720
Muscarinic acetylcholine receptor Ki = 0.27 nM 9.57 Inhibit the binding of [N-mnethyl-3H]-scopolamine [3H]-NMS) to Muscarinic acetyl... 3494849
Muscarinic acetylcholine receptors; M1 & M2 Ki = 0.279 nM 9.55 Inhibition of [3H]QNB binding towards muscarinic acetylcholine receptor in guine... 2016720
Muscarinic acetylcholine receptor M2 Ki = 0.472 nM 9.33 Inhibition of [3H]QNB binding to CHO cells bearing transfected muscarinic acetyl... 2016720

Literature References

PubMed DOI Target Context # Activities
2016720 10.1021/jm00108a030 Unchecked 3
3494849 10.1021/jm00388a010 Cavia porcellus 2
3494849 10.1021/jm00388a010 Rattus norvegicus 2
2016720 10.1021/jm00108a030 Muscarinic acetylcholine receptors; M1 & M2 1
2016720 10.1021/jm00108a030 Muscarinic acetylcholine receptor M1 1
2016720 10.1021/jm00108a030 Muscarinic acetylcholine receptor M2 1
3494849 10.1021/jm00388a010 Muscarinic acetylcholine receptor 1

Data from ChEMBL 36 via Core Engine