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Compound Detail

CHEMBL310396

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O=C1C=CC(=O)c2c(O)c(Cl)c(Cl)c(O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL310396
Phase Preclinical
Structure Type MOL
InChI Key KFAVXUQFBGHURZ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

259.0
MW (Da)
2.34
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H4Cl2O4
MW 259.04
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.87

Activity Summary

IC50 2 meas. best 7.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HL-60
CHEMBL383
 IC50 7.31 7.31 49.0 1
SCLC
CHEMBL612541
 IC50 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HL-60 IC50 = 49.0 nM 7.31 Cytotoxicity in HL-60 (human leukemia) cell line. 9986711
SCLC IC50 = 300.0 nM 6.52 Cytotoxicity in SCLC (human lung carcinoma) cell line. 9986711

Literature References

PubMed DOI Target Context # Activities
9873570 10.1016/s0960-894x(98)00411-9 SK-HEP1 7
9873570 10.1016/s0960-894x(98)00411-9 Homo sapiens 5
9986711 10.1021/jm9804679 HL-60 1
9986711 10.1021/jm9804679 SCLC 1
9986711 10.1021/jm9804679 NCI 1

Data from ChEMBL 36 via Core Engine