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Compound Detail

CHEMBL4217192

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CCOC(=O)C1=C(C)NC(SCc2nnc(-c3ccc(C)cc3)o2)=NC1c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4217192
Phase Preclinical
Structure Type MOL
InChI Key YFAVKEFERJFWDG-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

483.0
MW (Da)
5.47
ALogP
8
HBA
1
HBD
89.6
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23ClN4O3S
MW 482.99
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.45

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
28667871 10.1016/j.ejmech.2017.06.026 HL-60(TB) 1
28667871 10.1016/j.ejmech.2017.06.026 MOLT-4 1

Data from ChEMBL 36 via Core Engine