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Compound Detail

CHEMBL4795558

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Cc1nn(-c2ccccc2)c2c1cc(-c1nc(N)c(N3CCOCC3)c(N)n1)c(=O)n2Cc1ccccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4795558
Phase Preclinical
Structure Type MOL
InChI Key PMYWKYCISBTSRC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

526.6
MW (Da)
3.14
ALogP
10
HBA
2
HBD
130.1
PSA (Ų)
0.36
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 C28H27FN8O2
MW 526.58
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -1.49

Literature References

PubMed DOI Target Context # Activities
32914624 10.1021/acs.jmedchem.0c01132 Unchecked 2
32914624 10.1021/acs.jmedchem.0c01132 Aorta 2

Data from ChEMBL 36 via Core Engine