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Compound Detail

CHEMBL1789830

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N=C(N)C1(C(=O)Nc2ccc(CCCCCCCOCc3ccccc3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789830
Phase Preclinical
Structure Type MOL
InChI Key CZSGPHHHTXINHP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

407.6
MW (Da)
5.05
ALogP
3
HBA
3
HBD
88.2
PSA (Ų)
0.25
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H33N3O2
MW 407.56
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.53

Data from ChEMBL 36 via Core Engine