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Compound Detail

CHEMBL98841

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CN1C/C(=C\c2cccs2)C2=NN(C)C(c3cccs3)C2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL98841
Phase Preclinical
Structure Type MOL
InChI Key IGQWEABOPCBVFJ-FMIVXFBMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

329.5
MW (Da)
3.80
ALogP
5
HBA
0
HBD
18.8
PSA (Ų)
0.83
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 C17H19N3S2
MW 329.49
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.24

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