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Compound Detail

CHEMBL5554982

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CN1CCC(Oc2cc(Nc3ncc4c(ccc(=O)n4CC(F)F)n3)cnc2C#N)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5554982
Phase Preclinical
Structure Type MOL
InChI Key WPFWFHIMTVBYOE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

441.4
MW (Da)
2.54
ALogP
9
HBA
1
HBD
109.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21F2N7O2
MW 441.44
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.53

Literature References

PubMed DOI Target Context # Activities
38547734 10.1016/j.ejmech.2024.116351 MV4-11 1
38547734 10.1016/j.ejmech.2024.116351 Serine/threonine-protein kinase Chk1 1

Data from ChEMBL 36 via Core Engine