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Compound Detail

CHEMBL5865662

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COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1Cl

Basic Information

ChEMBL ID CHEMBL5865662
Phase Preclinical
Structure Type MOL
InChI Key ICTMRLXOZACTIZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

343.8
MW (Da)
2.83
ALogP
6
HBA
2
HBD
63.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18ClN5O
MW 343.82
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.13

Activity Summary

IC50 1 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 8.22 8.22 6.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 6.0 nM 8.22 HotSpot Assay: Table 3 and 4: The HotSpot kinase profiling and screening assays ... -

Data from ChEMBL 36 via Core Engine