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Compound Detail

CHEMBL276462

CEPHALOTAXINE
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COC1=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]3[C@@H]1O)OCO4

Basic Information

ChEMBL ID CHEMBL276462
Name CEPHALOTAXINE
Phase Preclinical
Structure Type MOL
InChI Key YMNCVRSYJBNGLD-KURKYZTESA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
1.79
ALogP
5
HBA
1
HBD
51.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H21NO4
MW 315.37
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 2.20

Activity Summary

IC50 3 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MAP kinase p38
CHEMBL2094115
IC50 6.7 6.7 200.0 1
HL-60
CHEMBL383
IC50 4.21 4.21 61200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18157122 10.1038/nchembio.2007.59 MAP kinase p38 2
18157122 10.1038/nchembio.2007.59 Janus Kinase (JAK) 2
7707309 10.1021/jm00007a003 Unchecked 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
29286665 10.1021/acs.jnatprod.7b00541 HL-60 1
36242991 10.1016/j.ejmech.2022.114731 K562 1
36242991 10.1016/j.ejmech.2022.114731 HL-60 1
36242991 10.1016/j.ejmech.2022.114731 U-937 1

Data from ChEMBL 36 via Core Engine