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Compound Detail

CHEMBL2323837

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Cl.NCCCn1c2c(c3ccc(C(=O)O)cc3c1=O)C(=O)c1ccccc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2323837
Phase Preclinical
Structure Type MOL
InChI Key JUXQPEDGXGIVQN-UHFFFAOYSA-N
Parent Compound CHEMBL2365202
Active Moiety CHEMBL2365202
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
2.26
ALogP
5
HBA
2
HBD
102.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17ClN2O4
MW 384.82
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.24

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