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Compound Detail

CHEMBL1789148

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CCC(CCNC)Oc1cc(Cl)ccc1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789148
Phase Preclinical
Structure Type MOL
InChI Key VJGKGXRSJKSLFP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

252.8
MW (Da)
2.98
ALogP
3
HBA
1
HBD
45.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H17ClN2O
MW 252.75
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.75

Pharmacokinetic Data

Parameter Value Units Species
CL 3.0 mL.min-1.g-1 Homo sapiens

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3301361 No relevant target 2
- 10.6019/CHEMBL3301361 ADMET 1

Data from ChEMBL 36 via Core Engine