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Compound Detail

CHEMBL4301657

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O=C1c2cccc3cccc(c23)C(=O)N1CCNCCCCCCCCCCNCCN1C(=O)c2cccc3cccc(c23)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301657
Phase Preclinical
Structure Type MOL
InChI Key XBGXGLRHERWAEP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

618.8
MW (Da)
6.19
ALogP
6
HBA
2
HBD
98.8
PSA (Ų)
0.11
QED
2
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H42N4O4
MW 618.78
Aromatic Rings 4
Heavy Atoms 46
NP-Likeness -0.33

Data from ChEMBL 36 via Core Engine