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Compound Detail

CHEMBL426827

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Nc1nn(Cc2ccccc2)c2nnc(-c3ccccc3)c(-c3ccccc3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL426827
Phase Preclinical
Structure Type MOL
InChI Key RSXBXHUMUOJHGZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
4.79
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19N5
MW 377.45
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -0.93

Literature References

PubMed DOI Target Context # Activities
16250643 10.1021/jm058013g Unchecked 1
16250643 10.1021/jm058013g HT-29 1
16250643 10.1021/jm058013g HeLa 1
16250643 10.1021/jm058013g PC-3 1

Data from ChEMBL 36 via Core Engine