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Compound Detail

CHEMBL5500150

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O=C(N[C@@H]1CNCC[C@H]1c1cc(F)c(F)c(F)c1)c1cc2c(s1)OCCn1ncc(Cl)c1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5500150
Phase Preclinical
Structure Type MOL
InChI Key UPRMJRLIYMEINE-MEDUHNTESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

482.9
MW (Da)
3.95
ALogP
6
HBA
2
HBD
68.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18ClF3N4O2S
MW 482.92
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.97

Data from ChEMBL 36 via Core Engine