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Compound Detail

CHEMBL3787133

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Cn1cnc(-c2cc(C(=O)O)ccn2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3787133
Phase Preclinical
Structure Type MOL
InChI Key CZNFQLDDPKKPMX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

203.2
MW (Da)
1.18
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.80
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 C10H9N3O2
MW 203.20
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
26710088 10.1021/acs.jmedchem.5b01758 Lysine-specific demethylase 5A 2
26710088 10.1021/acs.jmedchem.5b01758 Lysine-specific demethylase 5B 2
26710088 10.1021/acs.jmedchem.5b01758 Lysine-specific demethylase 4C 1
26710088 10.1021/acs.jmedchem.5b01758 Lysine-specific demethylase 4A 1
26710088 10.1021/acs.jmedchem.5b01758 Lysine-specific demethylase 2B 1

Data from ChEMBL 36 via Core Engine