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Compound Detail

CHEMBL41550

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CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1/C(S)=N/C[C@@H]1CCCO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL41550
Phase Preclinical
Structure Type MOL
InChI Key JASMTTLIMCQUTI-ROUUACIJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

404.6
MW (Da)
2.98
ALogP
3
HBA
3
HBD
66.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H32N4O2S
MW 404.58
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
12699761 10.1016/s0960-894x(03)00194-x Mu-type opioid receptor 1
12699761 10.1016/s0960-894x(03)00194-x Delta-type opioid receptor 1
12699761 10.1016/s0960-894x(03)00194-x Kappa-type opioid receptor 1

Data from ChEMBL 36 via Core Engine