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Compound Detail

CHEMBL5407750

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COc1cc(-c2ccc3ncc(-c4ccc(C(=O)NCCN(C)C)cc4)n3n2)ccc1O

Basic Information

ChEMBL ID CHEMBL5407750
Phase Preclinical
Structure Type MOL
InChI Key MAIMRLBVWRGKMP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
3.07
ALogP
7
HBA
2
HBD
92.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25N5O3
MW 431.50
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.24

Activity Summary

IC50 1 meas. best 6.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Death-associated protein kinase 1
CHEMBL2558
IC50 6.61 6.61 247.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Death-associated protein kinase 1 IC50 = 247.0 nM 6.61 Inhibition of DAPK1 (unknown origin) 36645394

Literature References

PubMed DOI Target Context # Activities
36645394 10.1021/acs.jmedchem.2c01606 Death-associated protein kinase 1 1

Data from ChEMBL 36 via Core Engine