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Compound Detail

CHEMBL3394893

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COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)nc2)cc(Br)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3394893
Phase Preclinical
Structure Type MOL
InChI Key TZJRTGHDAYCHGF-FBCYGCLPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

407.2
MW (Da)
2.28
ALogP
6
HBA
3
HBD
112.9
PSA (Ų)
0.52
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 C16H15BrN4O4
MW 407.22
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.45

Literature References

PubMed DOI Target Context # Activities
25582598 10.1016/j.bmcl.2014.11.067 Histone chaperone ASF1A 1

Data from ChEMBL 36 via Core Engine