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Compound Detail

CHEMBL1432507

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CCn1c2ccccc2c2cc(Nc3cc(C)nc4ncnn34)ccc21

Basic Information

ChEMBL ID CHEMBL1432507
Phase Preclinical
Structure Type MOL
InChI Key OLGRAIQONDDWCX-UHFFFAOYSA-N
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
4.30
ALogP
6
HBA
1
HBD
60.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N6
MW 342.41
Aromatic Rings 5
Heavy Atoms 26
NP-Likeness -2.05

Activity Summary

EC50 3 meas. best 6.59
IC50 3 meas. best 5.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 6.59 6.54 255.0 3
Unchecked
CHEMBL612545
IC50 5.87 4.8533 1340.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine