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Compound Detail

CHEMBL3786941

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CC(=O)c1cc2n(c1Br)[C@@H]1C[C@]3(O)[C@@H](NC(=O)N3C)[C@@H]1NC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3786941
Phase Preclinical
Structure Type MOL
InChI Key PQUPTPQVNRYPNS-RBQUTUCGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

383.2
MW (Da)
0.22
ALogP
5
HBA
3
HBD
103.7
PSA (Ų)
0.60
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 C14H15BrN4O4
MW 383.20
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 1.43

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