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Compound Detail

CHEMBL4597962

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O=C(O)[C@H]1C2C=CC(CC2)[C@@H]1Nc1nc(-c2n[nH]c3ncc(F)cc23)nc2ccsc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597962
Phase Preclinical
Structure Type MOL
InChI Key AMFGNEXILHIXLT-BYYDDPFNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

436.5
MW (Da)
3.85
ALogP
7
HBA
3
HBD
116.7
PSA (Ų)
0.42
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 C21H17FN6O2S
MW 436.47
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.17

Data from ChEMBL 36 via Core Engine