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Compound Detail

CHEMBL2178376

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Cc1ncc(C(=O)N(C)C)nc1-c1ccc([C@H]2CC[C@H](CC(=O)O)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2178376
Phase Preclinical
Structure Type MOL
InChI Key BFDDISCOBGATLH-WKILWMFISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

381.5
MW (Da)
3.90
ALogP
4
HBA
1
HBD
83.4
PSA (Ų)
0.85
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 C22H27N3O3
MW 381.48
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.76

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