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Compound Detail

CHEMBL60604

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CN(C)/C(=N\C#N)C1=CC(C)(C)Oc2ccc(S(C)(=O)=O)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL60604
Phase Preclinical
Structure Type MOL
InChI Key YNRXDVYBSZMVTC-SDXDJHTJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
2.09
ALogP
5
HBA
0
HBD
82.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19N3O3S
MW 333.41
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.43

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80551-5 Rattus norvegicus 2
- 10.1016/S0960-894X(01)80551-5 Cavia porcellus 2

Data from ChEMBL 36 via Core Engine