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Compound Detail

CHEMBL4466361

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Cc1cc(C#N)cc(C)c1Oc1nc(N[C@H]2CCN(Cc3cccc(C(N)=O)c3)C2)nc2ccsc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4466361
Phase Preclinical
Structure Type MOL
InChI Key FIGKEOWBLDWSPU-NRFANRHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

498.6
MW (Da)
4.76
ALogP
8
HBA
2
HBD
117.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26N6O2S
MW 498.61
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.84

Literature References

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

Data from ChEMBL 36 via Core Engine