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Compound Detail

CHEMBL4162158

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CN[C@@H]1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4cnc(C)n4C(C)C)n3)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4162158
Phase Preclinical
Structure Type MOL
InChI Key NTSDIJMNXYJJNG-GOSISDBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
3.55
ALogP
7
HBA
2
HBD
88.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28FN7O
MW 437.52
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.62

Literature References

PubMed DOI Target Context # Activities
30091915 10.1021/acs.jmedchem.8b00669 Unchecked 1

Data from ChEMBL 36 via Core Engine