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Compound Detail

CHEMBL1533937

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CN1CCC(Oc2ccccc2Sc2ccc(C(F)(F)F)cc2)CC1.O=C(O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1533937
Phase Preclinical
Structure Type MOL
InChI Key BVJNVAJOCFPLMC-UHFFFAOYSA-N
Parent Compound CHEMBL1623492
Active Moiety CHEMBL1623492
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
5.33
ALogP
3
HBA
0
HBD
12.5
PSA (Ų)
0.72
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22F3NO5S
MW 457.47
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.01

Data from ChEMBL 36 via Core Engine