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Compound Detail

CHEMBL506269

CRYPTOPHYCIN 175
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COc1c(Cl)cc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL506269
Name CRYPTOPHYCIN 175
Phase Preclinical
Structure Type MOL
InChI Key WTWQLCDDGYJOLG-GAWFYVAGSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

673.6
MW (Da)
5.96
ALogP
7
HBA
2
HBD
120.0
PSA (Ų)
0.33
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C35H42Cl2N2O7
MW 673.63
Aromatic Rings 2
Heavy Atoms 46
NP-Likeness 1.61

Activity Summary

IC50 3 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
KB
CHEMBL398
 IC50 7.0 7.0 100.0 1
LoVo
CHEMBL614721
 IC50 7.0 7.0 100.0 1
SK-OV-3
CHEMBL614925
 IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
LoVo IC50 = 100.0 nM 7.0 Cytotoxicity against human LoVo cells 9090872
KB IC50 = 100.0 nM 7.0 Cytotoxicity against human KB cells 9090872
SK-OV-3 IC50 = 100.0 nM 7.0 Cytotoxicity against human SKOV3 cells 9090872

Literature References

PubMed DOI Target Context # Activities
9090872 10.1021/np960700a LoVo 1
9090872 10.1021/np960700a KB 1
9090872 10.1021/np960700a SK-OV-3 1

Data from ChEMBL 36 via Core Engine