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Compound Detail

CHEMBL2178391

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Cc1nc(-c2ccccc2)c(C(N)=O)nc1-c1ccc([C@H]2CC[C@H](CC(=O)O)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2178391
Phase Preclinical
Structure Type MOL
InChI Key KVKWRYLHEXHJBM-IYARVYRRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
4.97
ALogP
4
HBA
2
HBD
106.2
PSA (Ų)
0.58
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 C26H27N3O3
MW 429.52
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.33

Literature References

PubMed DOI Target Context # Activities
23116186 10.1021/jm301296t No relevant target 1
23116186 10.1021/jm301296t Diacylglycerol O-acyltransferase 1 1

Data from ChEMBL 36 via Core Engine