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Compound Detail

CHEMBL4300639

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N[C@@H]1CCC=C(c2ccc(F)cc2)[C@H]1CNc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300639
Phase Preclinical
Structure Type MOL
InChI Key BSNVRJYSKXDALK-VQIMIIECSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

511.0
MW (Da)
5.11
ALogP
6
HBA
3
HBD
97.1
PSA (Ų)
0.41
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21ClF2N4O2S2
MW 511.02
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.21

Data from ChEMBL 36 via Core Engine