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Compound Detail

CHEMBL4073502

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Cl.Cl.Nc1cccc([C@H]2CCN[C@@H]2C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4073502
Phase Preclinical
Structure Type MOL
InChI Key YLKPXRVZIPKHOG-NKRBYZSKSA-N
Parent Compound CHEMBL4117734
Active Moiety CHEMBL4117734
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

206.2
MW (Da)
0.80
ALogP
3
HBA
3
HBD
75.3
PSA (Ų)
0.63
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 C11H16Cl2N2O2
MW 279.17
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.53

Literature References

PubMed DOI Target Context # Activities
29205034 10.1021/acs.jmedchem.7b01624 Unchecked 3

Data from ChEMBL 36 via Core Engine