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Compound Detail

CHEMBL4565845

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Cc1sc(C(=O)N[C@@H]2[C@H](N)CCCC2(F)F)cc1-c1cnn2cc(-c3cnn(C)c3)cnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4565845
Phase Preclinical
Structure Type MOL
InChI Key SFILVHFYISPBOI-IEBWSBKVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

471.5
MW (Da)
3.41
ALogP
8
HBA
2
HBD
103.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23F2N7OS
MW 471.54
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
27491711 10.1016/j.bmcl.2016.02.003 MAP/microtubule affinity-regulating kinase 3 1
27491711 10.1016/j.bmcl.2016.02.003 No relevant target 1

Data from ChEMBL 36 via Core Engine