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Compound Detail

CHEMBL5219549

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C[C@@H](Oc1ccc(Cl)cc1Cl)c1nnc(S)n1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5219549
Phase Preclinical
Structure Type MOL
InChI Key ZVLXVPQNFCLEFV-RXMQYKEDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

305.2
MW (Da)
2.73
ALogP
6
HBA
2
HBD
66.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H10Cl2N4OS
MW 305.19
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -2.06

Literature References

PubMed DOI Target Context # Activities
34898210 10.1021/acs.jmedchem.1c01108 Bromodomain-containing protein 4 2

Data from ChEMBL 36 via Core Engine