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Compound Detail

CHEMBL3774435

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Cc1ccsc1CNc1ncccc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3774435
Phase Preclinical
Structure Type MOL
InChI Key GIDVSGXIJGUURN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
2.76
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.87
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 C12H12N2O2S
MW 248.31
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.78

Literature References

PubMed DOI Target Context # Activities
26771107 10.1021/acs.jmedchem.5b01537 Lysine-specific demethylase 4C 2
26771107 10.1021/acs.jmedchem.5b01537 Lysine-specific demethylase 5C 2
26771107 10.1021/acs.jmedchem.5b01537 Lysine-specific demethylase 6B 1
26771107 10.1021/acs.jmedchem.5b01537 Lysine-specific demethylase 4D 1
26771107 10.1021/acs.jmedchem.5b01537 Lysine-specific demethylase 4A 1
26771107 10.1021/acs.jmedchem.5b01537 Lysine-specific demethylase 4E 1
26771107 10.1021/acs.jmedchem.5b01537 Solute carrier organic anion transporter family member 1B1 1

Data from ChEMBL 36 via Core Engine