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Compound Detail

CHEMBL3751891

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Cc1ccc(/C=N/NC(=O)c2ccc(-c3nnc(-c4ccc5ncccc5c4)o3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3751891
Phase Preclinical
Structure Type MOL
InChI Key NIXVLIWYPGOEEH-LQKURTRISA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
5.02
ALogP
6
HBA
1
HBD
93.3
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H19N5O2
MW 433.47
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.57

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00280J ADMET 2
- 10.1039/C5MD00280J Unchecked 1

Data from ChEMBL 36 via Core Engine