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Compound Detail

CHEMBL4278394

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O=c1[nH]c2cc3c(cc2cc1-c1nc2cc(Br)ccc2[nH]1)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4278394
Phase Preclinical
Structure Type MOL
InChI Key ZPGDQGKVKKKJDV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

384.2
MW (Da)
3.56
ALogP
4
HBA
2
HBD
80.0
PSA (Ų)
0.53
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 C17H10BrN3O3
MW 384.19
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
30092368 10.1016/j.ejmech.2018.07.066 HepG2 1
30092368 10.1016/j.ejmech.2018.07.066 SK-OV-3 1
30092368 10.1016/j.ejmech.2018.07.066 NCI-H460 1
30092368 10.1016/j.ejmech.2018.07.066 BEL-7404 tumor cell line 1
30092368 10.1016/j.ejmech.2018.07.066 L02 1

Data from ChEMBL 36 via Core Engine