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Compound Detail

CHEMBL5088112

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CCN(CC)CCNC(=O)c1cc2c(c(OC)c1-c1ccc(N(C)C)cc1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5088112
Phase Preclinical
Structure Type MOL
InChI Key QSJUDPKKLALCCA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
3.23
ALogP
6
HBA
1
HBD
63.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H31N3O4
MW 413.52
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
34038111 10.1021/acs.jmedchem.1c00018 SK-HEP1 1
34038111 10.1021/acs.jmedchem.1c00018 Unchecked 1

Data from ChEMBL 36 via Core Engine