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Compound Detail

CHEMBL537185

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CCC[C@H](N)C(=O)NC1CC[C@H]2CC[C@@H](C(=O)NCc3ccccc3)N2C1=O.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL537185
Phase Preclinical
Structure Type MOL
InChI Key MWGRAQXIYXRWIR-TVRAVYJDSA-N
Parent Compound CHEMBL1188716
Active Moiety CHEMBL1188716
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
1.07
ALogP
4
HBA
3
HBD
104.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H31ClN4O3
MW 422.96
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.33

Literature References

PubMed DOI Target Context # Activities
15293984 10.1021/jm0499108 E3 ubiquitin-protein ligase XIAP 1

Data from ChEMBL 36 via Core Engine