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Compound Detail

CHEMBL1169732

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Cc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)c2ccccn2)C3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1169732
Phase Preclinical
Structure Type MOL
InChI Key PVNHSVWDSWHGAU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
2.52
ALogP
4
HBA
2
HBD
91.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N5O2
MW 347.38
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.73

Literature References

PubMed DOI Target Context # Activities
20621733 10.1016/j.bmcl.2010.04.083 HCT-116 1
20621733 10.1016/j.bmcl.2010.04.083 A549 1
20621733 10.1016/j.bmcl.2010.04.083 A2780 1

Data from ChEMBL 36 via Core Engine