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Compound Detail

CHEMBL230362

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O=C(Nc1ccc2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)nc2c1)N1CCCC(C(=O)N2CCCC2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL230362
Phase Preclinical
Structure Type MOL
InChI Key YGCSLQKNFQPTKJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

663.4
MW (Da)
7.36
ALogP
4
HBA
1
HBD
78.4
PSA (Ų)
0.25
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H29Br2N5O2
MW 663.41
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -1.34

Literature References

PubMed DOI Target Context # Activities
17303416 10.1016/j.bmcl.2007.01.094 Dual specificity protein phosphatase 22 1

Data from ChEMBL 36 via Core Engine