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Compound Detail

CHEMBL542210

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COc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)c[nH]2)cc1OC.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL542210
Phase Preclinical
Structure Type MOL
InChI Key CIJITJAXALKOOM-UHFFFAOYSA-N
Parent Compound CHEMBL1191153
Active Moiety CHEMBL1191153
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
3.65
ALogP
4
HBA
2
HBD
76.2
PSA (Ų)
0.75
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 C20H20ClN3O3
MW 385.85
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
7830278 10.1021/jm00002a017 Homo sapiens 1

Data from ChEMBL 36 via Core Engine