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Compound Detail

CHEMBL3358410

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Cc1c(Nc2ncnc3ccccc23)cccc1-c1c[nH]c(=O)c(Nc2ccc(N3CCN(C)CC3)cn2)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3358410
Phase Preclinical
Structure Type MOL
InChI Key IEXDEOIDEMDRGW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

532.6
MW (Da)
5.24
ALogP
8
HBA
3
HBD
102.1
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H32N8O
MW 532.65
Aromatic Rings 5
Heavy Atoms 40
NP-Likeness -1.18

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