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Compound Detail

CHEMBL225255

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Cc1cccc2cc3c(=O)nc(-c4ccccc4)nc-3[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL225255
Phase Preclinical
Structure Type MOL
InChI Key RQYPCZWPOCMMLT-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

287.3
MW (Da)
3.40
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13N3O
MW 287.32
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.03

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17049252 10.1016/j.bmc.2006.09.063 CCRF-HSB-2 1
17049252 10.1016/j.bmc.2006.09.063 KB 1
17049252 10.1016/j.bmc.2006.09.063 NCI-H460 1
17049252 10.1016/j.bmc.2006.09.063 HCT-116 1
17049252 10.1016/j.bmc.2006.09.063 A-431 1

Data from ChEMBL 36 via Core Engine