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Compound Detail

CHEMBL4300664

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CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(OCCCCCCCC(=O)NO)cc3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300664
Phase Preclinical
Structure Type MOL
InChI Key VMRFSRPIDVAIGW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

477.6
MW (Da)
5.07
ALogP
7
HBA
4
HBD
125.5
PSA (Ų)
0.15
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 C26H31N5O4
MW 477.57
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.93

Data from ChEMBL 36 via Core Engine