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Compound Detail

CHEMBL3727938

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O=C(Nc1c(F)cccc1F)c1ccc(-c2cc3scnc3cc2Cl)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3727938
Phase Preclinical
Structure Type MOL
InChI Key BPMPEFMAQOLROE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

406.9
MW (Da)
6.21
ALogP
4
HBA
1
HBD
42.0
PSA (Ų)
0.44
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H9ClF2N2OS2
MW 406.87
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.94

Data from ChEMBL 36 via Core Engine