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Compound Detail

CHEMBL4204932

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C=C1c2c(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc3n2CC1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4204932
Phase Preclinical
Structure Type MOL
InChI Key QGTBUGUGBUAYKN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
3.83
ALogP
6
HBA
2
HBD
92.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N5O
MW 369.43
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.10

Literature References

PubMed DOI Target Context # Activities
29715023 10.1021/acs.jmedchem.8b00441 Tyrosine-protein kinase BTK 1

Data from ChEMBL 36 via Core Engine