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Compound Detail

CHEMBL117350

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CC1(C)[C@H](C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2S1(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL117350
Phase Preclinical
Structure Type MOL
InChI Key LBFNZEBAAFYCLU-MBNYWOFBSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
-0.46
ALogP
5
HBA
2
HBD
120.8
PSA (Ų)
0.70
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 C16H18N2O6S
MW 366.40
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.09

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.8333 hr -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80141-4 ADMET 1

Data from ChEMBL 36 via Core Engine