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Compound Detail

CHEMBL4300207

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CN(Cc1ccc(OCCCNC(=N)N)cc1)c1nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300207
Phase Preclinical
Structure Type MOL
InChI Key HGJWCUTWLXSNBG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

529.6
MW (Da)
6.00
ALogP
6
HBA
3
HBD
96.5
PSA (Ų)
0.13
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26F3N5O2S
MW 529.59
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.55

Data from ChEMBL 36 via Core Engine