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Compound Detail

CHEMBL13829

MIXTURE OF MMC AND TA
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CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12

Basic Information

ChEMBL ID CHEMBL13829
Name MIXTURE OF MMC AND TA
Phase Preclinical
Structure Type MOL
InChI Key PXEIHNXZWYWWBN-QELMVXHGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

768.8
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H49FN4O11
MW 768.84

Activity Summary

IC50 1 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NIH3T3
CHEMBL614822
IC50 5.8 5.8 1600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NIH3T3 IC50 = 1600.0 nM 5.8 Inhibition of NIH 3T3 cell growth required to induce 50% of maximum response usi... 11855992

Literature References

PubMed DOI Target Context # Activities
11855992 10.1021/jm010511b NIH3T3 2

Data from ChEMBL 36 via Core Engine