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Compound Detail

CHEMBL94503

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CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C/C(=O)NC1CCCC1)CCC(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL94503
Phase Preclinical
Structure Type MOL
InChI Key ALJBQGWUCSLEQM-RIQUQGOOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

633.8
MW (Da)
3.42
ALogP
6
HBA
5
HBD
168.7
PSA (Ų)
0.17
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H47N5O6
MW 633.79
Aromatic Rings 2
Heavy Atoms 46
NP-Likeness -0.01

Literature References

PubMed DOI Target Context # Activities
9667970 10.1021/jm980068d HeLa 2
9667970 10.1021/jm980068d Human rhinovirus A protease 1

Data from ChEMBL 36 via Core Engine