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Compound Detail

CHEMBL4440976

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Cl.NC1CC1c1ccc(NC(=O)c2ccc(O)c3ncccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4440976
Phase Preclinical
Structure Type MOL
InChI Key IOISINYXKTVMBM-UHFFFAOYSA-N
Parent Compound CHEMBL4597203
Active Moiety CHEMBL4597203
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
3.01
ALogP
4
HBA
3
HBD
88.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18ClN3O2
MW 355.83
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
30366254 10.1016/j.ejmech.2018.10.041 Plasmodium falciparum 2
34107385 10.1016/j.ejmech.2021.113588 MCF7 1
37014989 10.1021/acs.jmedchem.2c01527 Lysine-specific histone demethylase 1A 1

Data from ChEMBL 36 via Core Engine