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Compound Detail

CHEMBL328006

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Fc1ccc(C2CC(N3CCN(CCN4CCN=C4S)CC3)c3ccc(F)cc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL328006
Phase Preclinical
Structure Type MOL
InChI Key AVOSQJJHXGCJIZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
3.76
ALogP
4
HBA
1
HBD
22.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28F2N4S
MW 442.58
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.68

Data from ChEMBL 36 via Core Engine