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Compound Detail

CHEMBL458788

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COc1ccccc1Nc1nc(N[C@H]2CCCC[C@H]2N)n2ccnc2c1C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL458788
Phase Preclinical
Structure Type MOL
InChI Key QOLVVSMHPZMZGR-OLZOCXBDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
2.26
ALogP
8
HBA
4
HBD
132.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N7O2
MW 395.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.86

Literature References

PubMed DOI Target Context # Activities
18823784 10.1016/j.bmc.2008.09.015 Tyrosine-protein kinase SYK 1
18823784 10.1016/j.bmc.2008.09.015 Tyrosine-protein kinase ZAP-70 1

Data from ChEMBL 36 via Core Engine