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Compound Detail

CHEMBL595419

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O=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL595419
Phase Preclinical
Structure Type MOL
InChI Key AGHLVWAMEPWVSC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

420.8
MW (Da)
4.41
ALogP
6
HBA
1
HBD
107.1
PSA (Ų)
0.22
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H13ClN4O4
MW 420.81
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.68

Literature References

PubMed DOI Target Context # Activities
19682911 10.1016/j.bmc.2009.07.048 NON-PROTEIN TARGET 1
19682911 10.1016/j.bmc.2009.07.048 L1210 1
19682911 10.1016/j.bmc.2009.07.048 SK-OV-3 1

Data from ChEMBL 36 via Core Engine