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Compound Detail

CHEMBL251690

VINCADIFFORMINE
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CC[C@]12CCCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32

Basic Information

ChEMBL ID CHEMBL251690
Name VINCADIFFORMINE
Phase Preclinical
Structure Type MOL
InChI Key GIGFIWJRTMBSRP-ACRUOGEOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
3.45
ALogP
4
HBA
1
HBD
41.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H26N2O2
MW 338.45
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.83

Activity Summary

IC50 1 meas. best 4.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
IC50 4.88 4.88 13300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 13300.0 nM 4.88 Cytotoxicity against vincristine-resistant human KB/VJ300 cells in presence of 0... 17665953

Literature References

Data from ChEMBL 36 via Core Engine