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Compound Detail

CHEMBL467020

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COC(=O)[C@H]1C[C@@]12CC(c1ccc(OCc3cc(-c4ccccc4)nc4ccccc34)c(F)c1)N(C)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL467020
Phase Preclinical
Structure Type MOL
InChI Key PRCSUQWRLKQCIO-JMWAVFDPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

510.6
MW (Da)
5.70
ALogP
5
HBA
0
HBD
68.7
PSA (Ų)
0.31
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H27FN2O4
MW 510.57
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
19054672 10.1016/j.bmcl.2008.11.034 Disintegrin and metalloproteinase domain-containing protein 17 1

Data from ChEMBL 36 via Core Engine