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Compound Detail

CHEMBL3358404

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CN1CCN(c2ccc(CNc3cc(-c4cccc(-n5ccc6cc(C7CC7)cc(F)c6c5=O)c4CO)cn(C)c3=O)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3358404
Phase Preclinical
Structure Type MOL
InChI Key ONHQYKGLUMORJM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

619.7
MW (Da)
5.23
ALogP
8
HBA
2
HBD
82.7
PSA (Ų)
0.25
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H38FN5O3
MW 619.74
Aromatic Rings 5
Heavy Atoms 46
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
25515957 10.1016/j.bmc.2014.11.006 Tyrosine-protein kinase BTK 2

Data from ChEMBL 36 via Core Engine