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Compound Detail

CHEMBL3633542

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N[C@@H](CSC1(c2ccccc2)c2ccccc2CCSc2ccccc21)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3633542
Phase Preclinical
Structure Type MOL
InChI Key GBASDOMZUWZJEQ-XEGCMXMBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

421.6
MW (Da)
4.77
ALogP
4
HBA
2
HBD
63.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23NO2S2
MW 421.59
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.01

Literature References

PubMed DOI Target Context # Activities
26396688 10.1021/acsmedchemlett.5b00221 Kinesin-like protein KIF11 1
26396688 10.1021/acsmedchemlett.5b00221 HCT-116 1

Data from ChEMBL 36 via Core Engine