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Compound Detail

CHEMBL265252

FELLUTAMIDE B
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CCCCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C=O)CC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL265252
Name FELLUTAMIDE B
Phase Preclinical
Structure Type MOL
InChI Key MFXAGCQVWGPEJH-LRSLUSHPSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

555.7
MW (Da)
0.72
ALogP
7
HBA
6
HBD
210.8
PSA (Ų)
0.08
QED
2
Ro5 Violations
23
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C27H49N5O7
MW 555.72
Aromatic Rings 0
Heavy Atoms 39
NP-Likeness 0.74

Activity Summary

IC50 3 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
KB
CHEMBL398
 IC50 6.46 6.46 349.0 1
PC-12
CHEMBL612556
 IC50 6.36 6.36 437.0 1
LM
CHEMBL614094
 IC50 6.32 6.32 482.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
KB IC50 = 349.0 nM 6.46 Cytotoxicity against human KB cell line by [3H] thymidine incorporation assay 16697191
PC-12 IC50 = 437.0 nM 6.36 Cytotoxicity against rat PC12 cell line by [3H] thymidine incorporation assay 16697191
LM IC50 = 482.0 nM 6.32 Cytotoxicity against mouse LM cell line by [3H] thymidine incorporation assay 16697191

Literature References

PubMed DOI Target Context # Activities
16697191 10.1016/j.bmcl.2006.04.029 LM 2
16697191 10.1016/j.bmcl.2006.04.029 PC-12 1
16697191 10.1016/j.bmcl.2006.04.029 KB 1

Data from ChEMBL 36 via Core Engine