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Compound Detail

CHEMBL2312911

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COC(=O)CCC(=O)Nc1ccc2c3c(n(C)c(=O)c2c1)-c1ccccc1C3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2312911
Phase Preclinical
Structure Type MOL
InChI Key QHQWKHBMSLLEHH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
2.64
ALogP
6
HBA
1
HBD
94.5
PSA (Ų)
0.54
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 C22H18N2O5
MW 390.40
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.34

Literature References

PubMed DOI Target Context # Activities
23259865 10.1021/jm3014458 Tyrosyl-DNA phosphodiesterase 1 1
23472886 10.1021/jm400026k Retinoic acid receptor RXR-alpha 1

Data from ChEMBL 36 via Core Engine