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Compound Detail

CHEMBL244759

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COc1cc2c3c(n(CCCN)c(=O)c2cc1OC)-c1ccc(F)cc1C3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL244759
Phase Preclinical
Structure Type MOL
InChI Key SEPGHKZQSBMYGK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

382.4
MW (Da)
2.72
ALogP
6
HBA
1
HBD
83.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19FN2O4
MW 382.39
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.02

Literature References

PubMed DOI Target Context # Activities
23472886 10.1021/jm400026k Retinoic acid receptor RXR-alpha 3
17676830 10.1021/jm070307+ HOP-62 1
17676830 10.1021/jm070307+ HCT-116 1
17676830 10.1021/jm070307+ SF-539 1
17676830 10.1021/jm070307+ UACC-62 1
17676830 10.1021/jm070307+ OVCAR-3 1
17676830 10.1021/jm070307+ SN12C 1
17676830 10.1021/jm070307+ MDA-MB-435 1
17676830 10.1021/jm070307+ DU-145 1
23472886 10.1021/jm400026k COS-1 1

Data from ChEMBL 36 via Core Engine