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Compound Detail

CHEMBL74916

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O=C(CCC1=NCCN1)NC(c1ccccc1)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL74916
Phase Preclinical
Structure Type MOL
InChI Key BRGFNAQZQBBEFV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
3.21
ALogP
3
HBA
2
HBD
53.5
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 C19H27N3O
MW 313.44
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.65

Data from ChEMBL 36 via Core Engine