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Compound Detail

CHEMBL3785371

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CN1C(=O)N[C@H]2[C@@H]3NC(=O)c4ccc(Br)n4[C@@H]3C[C@]21OCCCc1cn(CCCC(=O)NCc2ccccc2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3785371
Phase Preclinical
Structure Type MOL
InChI Key GVUIGXRYTKDLNM-IWNAYQHTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

625.5
MW (Da)
2.36
ALogP
8
HBA
3
HBD
135.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H33BrN8O4
MW 625.53
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness 0.03

Literature References

PubMed DOI Target Context # Activities
26951751 10.1016/j.bmcl.2016.02.051 HeLa 1
26951751 10.1016/j.bmcl.2016.02.051 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine