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Compound Detail

CHEMBL5085569

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O=C(CO)N1CC[C@H](n2cnc3cnc4cc(F)c(-c5ccc(Oc6ncccn6)cc5Cl)cc4c32)[C@@H](F)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5085569
Phase Preclinical
Structure Type MOL
InChI Key UFUVZWXNVNZVJG-URXFXBBRSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

551.0
MW (Da)
4.73
ALogP
8
HBA
1
HBD
106.3
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H21ClF2N6O3
MW 550.95
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -1.11

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
35195996 10.1021/acs.jmedchem.1c02192 Unchecked 1
35195996 10.1021/acs.jmedchem.1c02192 No relevant target 1
35195996 10.1021/acs.jmedchem.1c02192 Cytochrome P450 3A4 1

Data from ChEMBL 36 via Core Engine