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Compound Detail

CHEMBL5079822

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Cc1nnn(C2CCNCC2)c1-c1cccc(OC(C)C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5079822
Phase Preclinical
Structure Type MOL
InChI Key DZMHLDVSIPBKSW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
2.36
ALogP
6
HBA
1
HBD
64.9
PSA (Ų)
0.94
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 C16H23N5O
MW 301.39
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.35

Literature References

PubMed DOI Target Context # Activities
34236185 10.1021/acs.jmedchem.1c00933 Bromodomain-containing protein 4 2

Data from ChEMBL 36 via Core Engine