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Compound Detail

CHEMBL388845

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CCCN(CCC)C(=O)NCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL388845
Phase Preclinical
Structure Type MOL
InChI Key JDYDOYUOUCWEHP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

630.7
MW (Da)
3.54
ALogP
9
HBA
1
HBD
128.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H46N4O9
MW 630.74
Aromatic Rings 2
Heavy Atoms 45
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
15566310 10.1021/jm040860g Human immunodeficiency virus 1 1
15566310 10.1021/jm040860g ADMET 1
15566310 10.1021/jm040860g Plasma 1

Data from ChEMBL 36 via Core Engine