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Compound Detail

CHEMBL1939987

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CC1=C(C(=O)c2ccccc2)C(c2ccccc2)NC(=S)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1939987
Phase Preclinical
Structure Type MOL
InChI Key BDBZXKWADBGAHN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
3.36
ALogP
2
HBA
2
HBD
41.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N2OS
MW 308.41
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
22222037 10.1016/j.bmcl.2011.12.068 Transient receptor potential cation channel subfamily A member 1 1
- 10.1007/s00044-011-9925-5 ATP-dependent translocase ABCB1 1

Data from ChEMBL 36 via Core Engine