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Compound Detail

CHEMBL2172215

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CC(=O)Nc1ccc2c3c(n(CCCN)c(=O)c2c1)-c1ccccc1C3O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2172215
Phase Preclinical
Structure Type MOL
InChI Key IPZVPGLOKKFFFS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
2.37
ALogP
5
HBA
3
HBD
97.3
PSA (Ų)
0.66
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 C21H21N3O3
MW 363.42
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.31

Literature References

PubMed DOI Target Context # Activities
22712432 10.1021/jm3006806 Retinoic acid receptor RXR-alpha 1
22712432 10.1021/jm3006806 HEK293 1
22712432 10.1021/jm3006806 COS-1 1
22712432 10.1021/jm3006806 Unchecked 1
23259865 10.1021/jm3014458 DNA topoisomerase 1 1
23259865 10.1021/jm3014458 Tyrosyl-DNA phosphodiesterase 1 1

Data from ChEMBL 36 via Core Engine