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Compound Detail

CHEMBL5184973

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Br.O=C1c2ccccc2C(=O)c2c1cc(C(=O)N1CCNCC1)c(O)c2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5184973
Phase Preclinical
Structure Type MOL
InChI Key XBKURUHEEOAQIL-UHFFFAOYSA-N
Parent Compound CHEMBL5222093
Active Moiety CHEMBL5222093
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
0.92
ALogP
6
HBA
3
HBD
106.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17BrN2O5
MW 433.26
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.15

Literature References

PubMed DOI Target Context # Activities
35290845 10.1016/j.ejmech.2022.114270 Pyruvate kinase PKLR 3

Data from ChEMBL 36 via Core Engine