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Compound Detail

CHEMBL23441

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NC(=O)c1c([N+](=O)[O-])ccc(N(CCCl)CCCl)c1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL23441
Phase Preclinical
Structure Type MOL
InChI Key KJZAIYUXAQCEKJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

351.1
MW (Da)
1.89
ALogP
6
HBA
1
HBD
132.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12Cl2N4O5
MW 351.15
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
8691449 10.1021/jm960057p CHO-AA8 1
8691449 10.1021/jm960057p Unchecked 1
9111301 10.1021/jm960794l T78-1 1
9111301 10.1021/jm960794l Modulator of drug activity A 1

Data from ChEMBL 36 via Core Engine