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Compound Detail

CHEMBL3787605

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C#CCCCO[C@@]12C[C@@H]3[C@@H](NC(=O)c4ccc(Br)n43)[C@@H]1NC(=O)N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3787605
Phase Preclinical
Structure Type MOL
InChI Key GZXMJQNQIVYAFK-CVGURMSBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

407.3
MW (Da)
1.46
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19BrN4O3
MW 407.27
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.50

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