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Compound Detail

CHEMBL1744377

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CC1OC2(CCN(C)CC2)C/C1=N/OC(=O)N(C)C.O=C(O)/C=C/C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1744377
Phase Preclinical
Structure Type MOL
InChI Key FWWCCRVJTSBTRU-SEGGKDSGSA-N
Parent Compound CHEMBL39166
Active Moiety CHEMBL39166
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
1.31
ALogP
5
HBA
0
HBD
54.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H27N3O7
MW 385.42
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness -0.17

Activity Summary

Ki 1 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 6.26 6.26 550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 550.0 nM 6.26 Binding affinity against muscarinic acetylcholine receptor from rat brain crude ... 7739014

Literature References

PubMed DOI Target Context # Activities
7739014 10.1021/jm00009a016 Muscarinic acetylcholine receptor 1
7739014 10.1021/jm00009a016 Unchecked 1

Data from ChEMBL 36 via Core Engine