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Compound Detail

CHEMBL8893

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O=C(NCC=C(c1ccccc1)c1ccccc1)c1ccc(Cl)c(Cl)c1

Basic Information

ChEMBL ID CHEMBL8893
Phase Preclinical
Structure Type MOL
InChI Key OYXWUVAZLKNOAB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.3
MW (Da)
5.86
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.59
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17Cl2NO
MW 382.29
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.65

Activity Summary

Ki 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cholecystokinin receptor type A
CHEMBL2871
Ki 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1552499 10.1021/jm00084a009 Cholecystokinin receptor type A 1

Data from ChEMBL 36 via Core Engine