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Compound Detail

CHEMBL247091

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COc1ccc2[nH]c3nc4ccnc(Cl)c4c(C)c3c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL247091
Phase Preclinical
Structure Type MOL
InChI Key VSDYYUSIDDNBEC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

297.8
MW (Da)
4.23
ALogP
3
HBA
1
HBD
50.8
PSA (Ų)
0.53
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 C16H12ClN3O
MW 297.75
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
17376678 10.1016/j.bmcl.2006.09.093 NIH3T3 1
17376678 10.1016/j.bmcl.2006.09.093 HCT-116 1

Data from ChEMBL 36 via Core Engine