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Compound Detail

CHEMBL554466

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C=C(Br)C(=O)Nc1ccc(C(=N)N)cc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL554466
Phase Preclinical
Structure Type MOL
InChI Key SHHJSPMRACGKAU-UHFFFAOYSA-N
Parent Compound CHEMBL1195415
Active Moiety CHEMBL1195415
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

268.1
MW (Da)
1.82
ALogP
2
HBA
3
HBD
79.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H11BrClN3O
MW 304.57
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
12031321 10.1016/s0960-894x(02)00177-4 L1210 1
12031321 10.1016/s0960-894x(02)00177-4 Mus musculus 1
12031321 10.1016/s0960-894x(02)00177-4 Caco-2 1

Data from ChEMBL 36 via Core Engine