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Compound Detail

CHEMBL2336230

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Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCn2cncc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2336230
Phase Preclinical
Structure Type MOL
InChI Key LBFNEEFRYLCLDA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.3
MW (Da)
3.68
ALogP
6
HBA
0
HBD
65.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17Cl2N5O2
MW 406.27
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.68

Literature References

PubMed DOI Target Context # Activities
23337601 10.1016/j.bmcl.2012.12.076 G-protein coupled bile acid receptor 1 2

Data from ChEMBL 36 via Core Engine