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Compound Detail

CHEMBL1171395

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Cc1ccc(C(=O)N2Cc3[nH]nc(NC(=O)c4ccco4)c3C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1171395
Phase Preclinical
Structure Type MOL
InChI Key KDBRNWHENKLXJB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
2.72
ALogP
4
HBA
2
HBD
91.2
PSA (Ų)
0.77
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 C18H16N4O3
MW 336.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.79

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