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Compound Detail

CHEMBL316744

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CN1C/C(=C\c2cccs2)C(O)/C(=C/c2cccs2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL316744
Phase Preclinical
Structure Type MOL
InChI Key RVAIPRMTUHGUHJ-QHKWOANTSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
3.58
ALogP
4
HBA
1
HBD
23.5
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17NOS2
MW 303.45
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.47

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
10956199 10.1021/jm000038m Unchecked 3
10956199 10.1021/jm000038m Panel leukemia (Carcinoma cell lines) 2
10956199 10.1021/jm000038m NSCLC 2
10956199 10.1021/jm000038m NON-PROTEIN TARGET 2
10956199 10.1021/jm000038m Panel CNS (Carcinoma cell lines) 2
10956199 10.1021/jm000038m Panel melanoma (Carcinoma cell lines) 2
10956199 10.1021/jm000038m Ovarian cancer cell line 2
10956199 10.1021/jm000038m Panel renal (Carcinoma cell lines) 2
10956199 10.1021/jm000038m Panel prostate (Carcinoma cell lines) 2
10956199 10.1021/jm000038m Breast cancer cell line 2
10956199 10.1021/jm000038m MT4 1
10956199 10.1021/jm000038m Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine