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Compound Detail

CHEMBL4641305

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CN1CCN(c2ccccc2CNc2cnn(C)c(=O)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4641305
Phase Preclinical
Structure Type MOL
InChI Key YEVVSHAZGKDHEV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
1.14
ALogP
6
HBA
1
HBD
53.4
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23N5O
MW 313.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.76

Literature References

PubMed DOI Target Context # Activities
32410449 10.1021/acs.jmedchem.0c00075 No relevant target 3
32410449 10.1021/acs.jmedchem.0c00075 Bromodomain-containing protein 9 1
32410449 10.1021/acs.jmedchem.0c00075 Bromodomain-containing protein 4 1

Data from ChEMBL 36 via Core Engine