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Compound Detail

CHEMBL22212

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

Basic Information

ChEMBL ID CHEMBL22212
Phase Preclinical
Structure Type MOL
InChI Key PSFSTGUTQMCFOL-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

422.3
MW (Da)
2.08
ALogP
7
HBA
1
HBD
121.9
PSA (Ų)
0.33
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21Cl2N5O5
MW 422.27
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -1.22

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
8691449 10.1021/jm960057p Unchecked 4
8691449 10.1021/jm960057p CHO-AA8 2
9111301 10.1021/jm960794l Modulator of drug activity A 2
8691449 10.1021/jm960057p UV4 1
9111301 10.1021/jm960794l T78-1 1

Data from ChEMBL 36 via Core Engine