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Compound Detail

CHEMBL3265370

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COc1ccc(Cn2c(NCCNC(=N)N)nc(=O)n(Cc3ccc(Br)cc3)c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3265370
Phase Preclinical
Structure Type MOL
InChI Key IRCKZEUJNJUYCC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

502.4
MW (Da)
1.17
ALogP
8
HBA
4
HBD
140.1
PSA (Ų)
0.20
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24BrN7O3
MW 502.37
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.84

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