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Compound Detail

CHEMBL133300

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Cc1ccc2c(O)cc(-c3cc4ccccc4s3)nc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL133300
Phase Preclinical
Structure Type MOL
InChI Key CIAZHGARPWZJCQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

292.4
MW (Da)
4.53
ALogP
4
HBA
1
HBD
46.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12N2OS
MW 292.36
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
10514278 10.1021/jm990208z Tubulin 1
10514278 10.1021/jm990208z HL-60 1
10514278 10.1021/jm990208z NCI-H23 1
10514278 10.1021/jm990208z SW-620 1
10514278 10.1021/jm990208z U-251 1
10514278 10.1021/jm990208z SK-MEL-5 1
10514278 10.1021/jm990208z OVCAR-3 1
10514278 10.1021/jm990208z RXF 393 1
10514278 10.1021/jm990208z PC-3 1
10514278 10.1021/jm990208z MDA-MB-435 1
10514278 10.1021/jm990208z MDA-N 1

Data from ChEMBL 36 via Core Engine