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Compound Detail

CHEMBL2323838

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COC(=O)/C=C/c1ccc2c3c(n(CCCN)c(=O)c2c1)-c1ccccc1C3=O.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2323838
Phase Preclinical
Structure Type MOL
InChI Key STKWEPIGEUPWFT-VRTOBVRTSA-N
Parent Compound CHEMBL2365086
Active Moiety CHEMBL2365086
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
2.75
ALogP
6
HBA
1
HBD
91.4
PSA (Ų)
0.42
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 C23H21ClN2O4
MW 424.88
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.47

Literature References

PubMed DOI Target Context # Activities
23472886 10.1021/jm400026k Retinoic acid receptor RXR-alpha 3
23472886 10.1021/jm400026k COS-1 1

Data from ChEMBL 36 via Core Engine