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Compound Detail

CHEMBL3621829

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Cc1cc(C)cc(Sc2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3621829
Phase Preclinical
Structure Type MOL
InChI Key KWEFMNYEJXKSPF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
5.23
ALogP
6
HBA
0
HBD
59.9
PSA (Ų)
0.40
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H14N2O2S2
MW 402.50
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
26344783 10.1016/j.ejmech.2015.07.052 PC-3 2
26344783 10.1016/j.ejmech.2015.07.052 DU-145 2
26344783 10.1016/j.ejmech.2015.07.052 NON-PROTEIN TARGET 2
26344783 10.1016/j.ejmech.2015.07.052 NCI-H226 1
26344783 10.1016/j.ejmech.2015.07.052 HCT-15 1
26344783 10.1016/j.ejmech.2015.07.052 HCT-116 1
26344783 10.1016/j.ejmech.2015.07.052 MDA-MB-468 1
26344783 10.1016/j.ejmech.2015.07.052 COLO 205 1
26344783 10.1016/j.ejmech.2015.07.052 NCI-H522 1
26344783 10.1016/j.ejmech.2015.07.052 NCI-H460 1
26344783 10.1016/j.ejmech.2015.07.052 NCI-H322M 1
26344783 10.1016/j.ejmech.2015.07.052 NCI-H23 1
26344783 10.1016/j.ejmech.2015.07.052 CCRF-CEM 1
26344783 10.1016/j.ejmech.2015.07.052 HOP-92 1
26344783 10.1016/j.ejmech.2015.07.052 HOP-62 1
26344783 10.1016/j.ejmech.2015.07.052 A549 1
26344783 10.1016/j.ejmech.2015.07.052 SR 1
26344783 10.1016/j.ejmech.2015.07.052 RPMI-8226 1
26344783 10.1016/j.ejmech.2015.07.052 MOLT-4 1
26344783 10.1016/j.ejmech.2015.07.052 K562 1

Data from ChEMBL 36 via Core Engine