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Compound Detail

CHEMBL100630

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COC(CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL100630
Phase Preclinical
Structure Type MOL
InChI Key PNESGNHHMRVOFW-KBPBESRZSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

446.6
MW (Da)
0.28
ALogP
7
HBA
4
HBD
144.1
PSA (Ų)
0.32
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H38N4O7
MW 446.55
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness -0.67

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(94)00452-L Human adenovirus 2 2

Data from ChEMBL 36 via Core Engine