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Compound Detail

CHEMBL4209640

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CCOC(=O)C1=C(C)NC(SCc2nnc(-c3ccc(Cl)cc3)o2)=NC1c1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4209640
Phase Preclinical
Structure Type MOL
InChI Key XZMDOCXNUYDNDT-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

503.4
MW (Da)
5.81
ALogP
8
HBA
1
HBD
89.6
PSA (Ų)
0.42
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20Cl2N4O3S
MW 503.41
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