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Compound Detail

CHEMBL5920978

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Cc1cc2ncnn2cc1Nc1ncc2c(n1)n([C@H]1CCOC1)c(=O)n2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5920978
Phase Preclinical
Structure Type MOL
InChI Key RUHACGHAVPFPAK-NSHDSACASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
1.19
ALogP
10
HBA
1
HBD
104.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N8O2
MW 366.39
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.39

Activity Summary

IC50 1 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DNA-dependent protein kinase catalytic subunit
CHEMBL3142
 IC50 9.3 9.3 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
DNA-dependent protein kinase catalytic subunit IC50 = 0.501 nM 9.3 DNAPK Enzyme Potency Assay (DNA-PK Enz): The inhibitory activity of compounds ag... -

Data from ChEMBL 36 via Core Engine