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Compound Detail

CHEMBL4087870

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CN(C)C(=O)N1CC=C(c2cc3c(-c4cccc(-n5ccc6cc(C7CC7)cc(F)c6c5=O)c4CO)cccc3[nH]2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4087870
Phase Preclinical
Structure Type MOL
InChI Key QYNYCCPVYPMVMD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

576.7
MW (Da)
6.42
ALogP
4
HBA
2
HBD
81.6
PSA (Ų)
0.25
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H33FN4O3
MW 576.67
Aromatic Rings 5
Heavy Atoms 43
NP-Likeness -0.47

Literature References

PubMed DOI Target Context # Activities
26169764 10.1016/j.bmc.2015.06.023 Tyrosine-protein kinase BTK 2

Data from ChEMBL 36 via Core Engine