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Compound Detail

CHEMBL3133718

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

Basic Information

ChEMBL ID CHEMBL3133718
Phase Preclinical
Structure Type MOL
InChI Key MPASKXAEPUAMBS-FNQQPIMXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

341.2
MW (Da)
0.02
ALogP
4
HBA
3
HBD
86.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H13BrN4O3
MW 341.17
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 1.97

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C3MD00094J NON-PROTEIN TARGET 1
- 10.1039/C3MD00094J Raji 1
- 10.1039/C3MD00094J DU-145 1

Data from ChEMBL 36 via Core Engine