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Compound Detail

CHEMBL5190805

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COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(F)ccc2N(c2cc(F)ccc2OC)C31
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5190805
Phase Preclinical
Structure Type MOL
InChI Key AHKSYLVXGMNNPG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

461.5
MW (Da)
5.31
ALogP
4
HBA
1
HBD
57.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H21F2N3O3
MW 461.47
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.36

Literature References

PubMed DOI Target Context # Activities
35639640 10.1021/acs.jmedchem.2c00520 HepG2 1
35639640 10.1021/acs.jmedchem.2c00520 Huh-7 1
35639640 10.1021/acs.jmedchem.2c00520 SK-HEP1 1
35639640 10.1021/acs.jmedchem.2c00520 HCCLM9 1
35639640 10.1021/acs.jmedchem.2c00520 L02 1
35639640 10.1021/acs.jmedchem.2c00520 SMMC-7721 1

Data from ChEMBL 36 via Core Engine