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Compound Detail

CHEMBL5277946

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CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5277946
Phase Preclinical
Structure Type MOL
InChI Key JYBBBBGACUMKKU-CSJNAZMVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

828.9
MW (Da)
-1.35
ALogP
12
HBA
12
HBD
333.9
PSA (Ų)
0.04
QED
3
Ro5 Violations
26
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H61N8O12P
MW 828.90
Aromatic Rings 1
Heavy Atoms 57
NP-Likeness 0.41

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
31810784 10.1016/j.ejmech.2019.111922 Signal transducer and activator of transcription 3 1

Data from ChEMBL 36 via Core Engine