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Compound Detail

CHEMBL118510

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CC1=C(CSCC[C@H](N)C(=O)O)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL118510
Phase Preclinical
Structure Type MOL
InChI Key SBGGFFONWGIUSF-KSSFIOAISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
2.21
ALogP
5
HBA
3
HBD
100.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25NO4S
MW 363.48
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 1.95

Literature References

PubMed DOI Target Context # Activities
11000013 10.1021/jm0000315 ADMET 1

Data from ChEMBL 36 via Core Engine