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Compound Detail

CHEMBL4596568

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O=C(NCc1ncccc1F)c1csc(CCNCCc2nc3cc(F)ccc3[nH]2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596568
Phase Preclinical
Structure Type MOL
InChI Key DHGBLGYMHXLHGY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
3.00
ALogP
6
HBA
3
HBD
95.6
PSA (Ų)
0.35
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20F2N6OS
MW 442.50
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -2.08

Data from ChEMBL 36 via Core Engine