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Compound Detail

CHEMBL246865

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COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL246865
Phase Preclinical
Structure Type MOL
InChI Key JFKHQUPBANHTCD-QHCPKHFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

506.5
MW (Da)
5.15
ALogP
7
HBA
2
HBD
123.2
PSA (Ų)
0.29
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H22N4O5
MW 506.52
Aromatic Rings 6
Heavy Atoms 38
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
17258458 10.1016/j.bmcl.2006.12.103 Unchecked 1

Data from ChEMBL 36 via Core Engine