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Compound Detail

CHEMBL4076194

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O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccc(Br)cc2/C1=N\OCC1CO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4076194
Phase Preclinical
Structure Type MOL
InChI Key UAYUUYFBACBMTF-PLWLMNJCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

491.1
MW (Da)
4.12
ALogP
5
HBA
2
HBD
75.2
PSA (Ų)
0.39
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 C19H13Br2N3O3
MW 491.14
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
28743492 10.1016/j.bmc.2017.07.009 HepG2 1

Data from ChEMBL 36 via Core Engine