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Compound Detail

CHEMBL5438662

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COc1cccc(-n2c(=O)c(C(=O)Nc3ccc(-c4nc(-c5ccnc(N6CC(OC)C6)c5)cnc4N)nc3)c(C)n2C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5438662
Phase Preclinical
Structure Type MOL
InChI Key KWEVUCIJYUXNQY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

593.6
MW (Da)
3.08
ALogP
12
HBA
2
HBD
155.3
PSA (Ų)
0.27
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H31N9O4
MW 593.65
Aromatic Rings 5
Heavy Atoms 44
NP-Likeness -1.31

Literature References

PubMed DOI Target Context # Activities
36959108 10.1021/acs.jmedchem.2c02078 Tyrosine-protein kinase ITK/TSK 1

Data from ChEMBL 36 via Core Engine