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Compound Detail

CHEMBL503034

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NCC(=O)Nc1c[nH]c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL503034
Phase Preclinical
Structure Type MOL
InChI Key CYZVIXVPBGIRLD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

184.2
MW (Da)
-2.04
ALogP
4
HBA
4
HBD
120.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H8N4O3
MW 184.16
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
18640746 10.1016/j.ejmech.2008.06.002 HeLa 1
18640746 10.1016/j.ejmech.2008.06.002 MIA PaCa-2 1
18640746 10.1016/j.ejmech.2008.06.002 SW-620 1
18640746 10.1016/j.ejmech.2008.06.002 MCF7 1
18640746 10.1016/j.ejmech.2008.06.002 NCI-H460 1

Data from ChEMBL 36 via Core Engine