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Compound Detail

CHEMBL3112686

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Cc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3112686
Phase Preclinical
Structure Type MOL
InChI Key VRHHNUXPGXOXOZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

385.7
MW (Da)
4.00
ALogP
4
HBA
0
HBD
52.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10BrClN2O2S
MW 385.67
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.78

Literature References

PubMed DOI Target Context # Activities
24387105 10.1021/jm401508p Aldehyde dehydrogenase X, mitochondrial 1
24387105 10.1021/jm401508p Retinaldehyde dehydrogenase 3 1
24387105 10.1021/jm401508p Retinal dehydrogenase 2 1
24387105 10.1021/jm401508p Aldehyde dehydrogenase, mitochondrial 1
24387105 10.1021/jm401508p Aldehyde dehydrogenase 1A1 1
24387105 10.1021/jm401508p Aldehyde dehydrogenase, dimeric NADP-preferring 1

Data from ChEMBL 36 via Core Engine