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Compound Detail

CHEMBL1547736

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CC(C)Cc1nc2oc3c(Cl)ncnc3c2c2c1CCC2

Basic Information

ChEMBL ID CHEMBL1547736
Phase Preclinical
Structure Type MOL
InChI Key KJJKBBDXEGRDQY-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

301.8
MW (Da)
4.11
ALogP
4
HBA
0
HBD
51.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16ClN3O
MW 301.78
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.79

Activity Summary

EC50 2 meas. best 5.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.09 4.92 8074.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine