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Compound Detail

CHEMBL4595204

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Cn1ncc(-c2ccncc2)c1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2cccc(F)c2)s1

Basic Information

ChEMBL ID CHEMBL4595204
Phase Preclinical
Structure Type MOL
InChI Key ZSLFELQVXOYPIM-PZJWPPBQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

461.6
MW (Da)
4.23
ALogP
6
HBA
2
HBD
71.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24FN5OS
MW 461.57
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.08

Data from ChEMBL 36 via Core Engine