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Compound Detail

CHEMBL2178382

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N=C(N)c1cncc(-c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2178382
Phase Preclinical
Structure Type MOL
InChI Key MILPMQNFJAVVSJ-JOCQHMNTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
3.18
ALogP
4
HBA
3
HBD
113.0
PSA (Ų)
0.57
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 C19H22N4O2
MW 338.41
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.40

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