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Compound Detail

CHEMBL1464065

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N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1NCCCn1ccnc1

Basic Information

ChEMBL ID CHEMBL1464065
Phase Preclinical
Structure Type MOL
InChI Key YZHDZFLNWPDUAT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

433.9
MW (Da)
5.14
ALogP
7
HBA
1
HBD
88.9
PSA (Ų)
0.37
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20ClN5O2
MW 433.90
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.91

Activity Summary

IC50 1 meas. best 5.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.34 5.34 4520.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 4520.0 nM 5.34 PubChem BioAssay. Dose Response confirmation of small molecule inhibitors origin... -

Data from ChEMBL 36 via Core Engine