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Compound Detail

CHEMBL4440351

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CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4n3CC(=O)NCCOCCOCCN)o2)C1=O.O=C(O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4440351
Phase Preclinical
Structure Type MOL
InChI Key XTDVECQRMUHILO-XGRJIHFXSA-N
Parent Compound CHEMBL4595385
Active Moiety CHEMBL4595385
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

573.7
MW (Da)
3.33
ALogP
11
HBA
2
HBD
141.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32F3N5O8S2
MW 687.72
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -1.86

Data from ChEMBL 36 via Core Engine