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Compound Detail

CHEMBL336909

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CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3C(=O)C2C(C)(C)C2(C)C)cc1

Basic Information

ChEMBL ID CHEMBL336909
Phase Preclinical
Structure Type MOL
InChI Key JYHIHYKJUURNQR-FDTGPBLFSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

522.7
MW (Da)
4.46
ALogP
4
HBA
1
HBD
90.0
PSA (Ų)
0.59
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H42N4O4
MW 522.69
Aromatic Rings 1
Heavy Atoms 38
NP-Likeness -0.49

Pharmacokinetic Data

Parameter Value Units Species
T1/2 16.0 hr Homo sapiens

Literature References

PubMed DOI Target Context # Activities
14521407 10.1021/jm030810w Capsid scaffolding protein 1
14521407 10.1021/jm030810w Homo sapiens 1
14521407 10.1021/jm030810w Human betaherpesvirus 5 1
14521407 10.1021/jm030810w Vero 1

Data from ChEMBL 36 via Core Engine