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Compound Detail

CHEMBL3265373

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Cc1ccc(Cn2c(=O)nc(NCCNC(=N)N)n(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3265373
Phase Preclinical
Structure Type MOL
InChI Key JFJPPLMXACBWQU-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

476.4
MW (Da)
2.01
ALogP
7
HBA
4
HBD
130.8
PSA (Ų)
0.22
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 C21H23Cl2N7O2
MW 476.37
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.19

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
24852280 10.1016/j.ejmech.2014.05.030 Mus musculus 2

Data from ChEMBL 36 via Core Engine