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Compound Detail

CHEMBL5564966

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Cc1cc2c(C3(S(C)(=O)=O)CC3)cc(N3CCOC[C@H]3C)nc2n1-c1cc[nH]n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5564966
Phase Preclinical
Structure Type MOL
InChI Key QSXZZLFMNTXKLD-CQSZACIVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

415.5
MW (Da)
2.32
ALogP
7
HBA
1
HBD
93.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N5O3S
MW 415.52
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
38299539 10.1021/acs.jmedchem.3c01917 ATR/ATRIP 1

Data from ChEMBL 36 via Core Engine