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Compound Detail

CHEMBL5966175

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CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)C(C)CNCc1cccc2nc[nH]c12

Basic Information

ChEMBL ID CHEMBL5966175
Phase Preclinical
Structure Type MOL
InChI Key AJYKZRXAHQYRHZ-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

485.0
MW (Da)
4.79
ALogP
5
HBA
2
HBD
79.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H33ClN4O3
MW 485.03
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.07

Activity Summary

Ki 3 meas. best 8.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prokineticin receptor 2
CHEMBL5548
Ki 8.68 8.68 2.1 1
Unchecked
CHEMBL612545
Ki 8.46 8.355 3.5 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine