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Compound Detail

CHEMBL4591122

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Cc1cc(C#N)cc(C)c1Oc1nc(NC2CC3CCC(C2)N3Cc2ccc(C(N)=O)cc2)nc2ccsc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4591122
Phase Preclinical
Structure Type MOL
InChI Key UZMVNBTVIYIDOW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

538.7
MW (Da)
5.68
ALogP
8
HBA
2
HBD
117.2
PSA (Ų)
0.31
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H30N6O2S
MW 538.68
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
30624934 10.1021/acs.jmedchem.8b01656 Unchecked 1
30624934 10.1021/acs.jmedchem.8b01656 TZM 1
30624934 10.1021/acs.jmedchem.8b01656 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine