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Compound Detail

CHEMBL233558

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Cc1c(CN2CCOC[C@H]2Cc2ccccc2)sc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL233558
Phase Preclinical
Structure Type MOL
InChI Key NFGLLDVBPXEZMJ-HSZRJFAPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

536.1
MW (Da)
4.94
ALogP
6
HBA
1
HBD
63.6
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H30ClN3O3S
MW 536.10
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
17513108 10.1016/j.bmcl.2007.05.010 Unchecked 1
17513108 10.1016/j.bmcl.2007.05.010 Human betaherpesvirus 5 1

Data from ChEMBL 36 via Core Engine