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Compound Detail

CHEMBL4538899

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Cc1cc2ncc(-c3cnc(SCCS(=O)(=O)c4ccc(Cl)cc4)nc3)c(C)n2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4538899
Phase Preclinical
Structure Type MOL
InChI Key SMDOWNCVTVGCTA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

460.0
MW (Da)
4.02
ALogP
8
HBA
0
HBD
90.1
PSA (Ų)
0.32
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18ClN5O2S2
MW 459.98
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -2.10

Activity Summary

IC50 1 meas.

Data from ChEMBL 36 via Core Engine