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Compound Detail

CHEMBL541670

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C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)(C)c1cn(C)c2ccccc12)[N+](C)(C)C)C(C)(C)C)C(=O)O.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL541670
Phase Preclinical
Structure Type MOL
InChI Key DXZAKVRQRZZIPK-OOTFIYFKSA-N
Parent Compound CHEMBL464003
Active Moiety CHEMBL464003
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

555.8
MW (Da)
4.58
ALogP
4
HBA
2
HBD
91.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H51IN4O4
MW 682.69
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness 1.31

Literature References

PubMed DOI Target Context # Activities
12608848 10.1021/np020375t MCF7 2

Data from ChEMBL 36 via Core Engine