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Compound Detail

CHEMBL604339

CREBANINE
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COc1ccc2c(c1OC)CC1c3c(cc4c(c3-2)OCO4)CCN1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL604339
Name CREBANINE
Phase Preclinical
Structure Type MOL
InChI Key UVDQDNQWGQFIAO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
3.18
ALogP
5
HBA
0
HBD
40.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H21NO4
MW 339.39
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 1.57

Literature References

PubMed DOI Target Context # Activities
17081761 10.1016/j.bmc.2006.10.034 ADMET 1
17081761 10.1016/j.bmc.2006.10.034 T-cell 1
17081761 10.1016/j.bmc.2006.10.034 B-cell 1
20097066 10.1016/j.bmcl.2010.01.007 Cyclin-dependent kinase 2 1

Data from ChEMBL 36 via Core Engine