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Compound Detail

CHEMBL132497

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O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL132497
Phase Preclinical
Structure Type MOL
InChI Key WOPGZCXUGQQZCP-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

494.3
MW (Da)
3.29
ALogP
11
HBA
2
HBD
230.8
PSA (Ų)
0.28
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H10N6O10
MW 494.33
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.92

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
10669567 10.1021/jm990408a Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine