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Compound Detail

CHEMBL5435904

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CC(C)(C)[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(C)(C)C)C(=O)C(=O)NC1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5435904
Phase Preclinical
Structure Type MOL
InChI Key KMPZIZWRPAOVOA-HSMSXCEDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

624.9
MW (Da)
4.13
ALogP
5
HBA
3
HBD
124.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H56N4O5
MW 624.87
Aromatic Rings 0
Heavy Atoms 45
NP-Likeness -0.07

Literature References

PubMed DOI Target Context # Activities
37857371 10.1021/acs.jmedchem.3c00995 Unchecked 1
37857371 10.1021/acs.jmedchem.3c00995 enterovirus D68 1
37857371 10.1021/acs.jmedchem.3c00995 RD 1

Data from ChEMBL 36 via Core Engine