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Compound Detail

CHEMBL1712964

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COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1712964
Phase Preclinical
Structure Type MOL
InChI Key UVWDSOCTVSQCTN-GHRIWEEISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
3.26
ALogP
5
HBA
1
HBD
71.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N3O3
MW 349.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.33

Data from ChEMBL 36 via Core Engine