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Compound Detail

CHEMBL4473884

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C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(-c2ccc3ncsc3c2)n1)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4473884
Phase Preclinical
Structure Type MOL
InChI Key SMVCAEANQVGINM-VXGBXAGGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.5
MW (Da)
4.57
ALogP
7
HBA
2
HBD
75.6
PSA (Ų)
0.63
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 C20H24N6S
MW 380.52
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
32071674 10.1021/acsmedchemlett.9b00509 Unchecked 1

Data from ChEMBL 36 via Core Engine