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Compound Detail

CHEMBL1179731

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CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2cc(Cl)sc2Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179731
Phase Preclinical
Structure Type MOL
InChI Key IXSJGZOXWQGYRR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

709.6
MW (Da)
7.60
ALogP
8
HBA
1
HBD
103.1
PSA (Ų)
0.16
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 C31H25Cl2F3N4O4S2
MW 709.60
Aromatic Rings 5
Heavy Atoms 46
NP-Likeness -1.40

Data from ChEMBL 36 via Core Engine