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Compound Detail

CHEMBL205836

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C(=C/c1cncc(OCCCc2c[nH]c3ccccc23)c1)\c1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL205836
Phase Preclinical
Structure Type MOL
InChI Key VYPYCUAFXDWFHP-BQYQJAHWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
5.14
ALogP
3
HBA
1
HBD
50.8
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21N3O
MW 355.44
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
16403626 10.1016/j.bmcl.2005.12.017 RAC-alpha serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine