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Compound Detail

CHEMBL3133717

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CNC(=O)N[C@H]1[C@@H]2NC(=O)c3ccc(Br)n3[C@@H]2C[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3133717
Phase Preclinical
Structure Type MOL
InChI Key YGCSPFFVPZVRNM-KHUVANEUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

343.2
MW (Da)
-0.03
ALogP
4
HBA
4
HBD
95.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15BrN4O3
MW 343.18
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.89

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