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Compound Detail

CHEMBL2070879

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Cc1[nH]c2ccccc2c1C(Sc1ccccc1)c1ccccc1Cl

Basic Information

ChEMBL ID CHEMBL2070879
Phase Preclinical
Structure Type MOL
InChI Key YUPCEFFCHQWZDR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

363.9
MW (Da)
7.01
ALogP
1
HBA
1
HBD
15.8
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18ClNS
MW 363.91
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.00

Literature References

PubMed DOI Target Context # Activities
22563729 10.1021/jm300460c Vitamin D3 receptor 3
22563729 10.1021/jm300460c No relevant target 2
22563729 10.1021/jm300460c HEK-293T 1
22563729 10.1021/jm300460c ADMET 1

Data from ChEMBL 36 via Core Engine