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Compound Detail

CHEMBL2336219

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Cc1nn(C)c(Oc2ccc(C(N)=O)cc2)c1C(=O)N1CCCCC1c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2336219
Phase Preclinical
Structure Type MOL
InChI Key QEQOBJFXAMFYQH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
3.38
ALogP
6
HBA
1
HBD
103.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N5O3
MW 419.49
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
23337601 10.1016/j.bmcl.2012.12.076 G-protein coupled bile acid receptor 1 2
23337601 10.1016/j.bmcl.2012.12.076 No relevant target 1

Data from ChEMBL 36 via Core Engine