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Compound Detail

CHEMBL4847285

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C/C=C/C(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(CC)ccn3)cc2)c(C(N)=O)n1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4847285
Phase Preclinical
Structure Type MOL
InChI Key CLIFQIOHTWKBOF-BEGIUABZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

501.6
MW (Da)
3.20
ALogP
7
HBA
3
HBD
149.2
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H31N7O3
MW 501.59
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
34672559 10.1021/acs.jmedchem.1c01559 Tyrosine-protein kinase BTK 1

Data from ChEMBL 36 via Core Engine