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Compound Detail

CHEMBL3786835

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CN1C(=O)c2ccc(Br)n2[C@@H]2C[C@]3(O)[C@@H](NC(=O)N3C)[C@@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3786835
Phase Preclinical
Structure Type MOL
InChI Key WJPDCRHERVQKCE-PZWLIILKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

355.2
MW (Da)
0.36
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15BrN4O3
MW 355.19
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 1.21

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