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Compound Detail

CHEMBL2435697

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CCCCOc1c(NCCCNc2ccnc3cc(Cl)ccc23)c(=O)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2435697
Phase Preclinical
Structure Type MOL
InChI Key ZYCQPJZEHMCBQE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

387.9
MW (Da)
3.58
ALogP
6
HBA
2
HBD
80.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22ClN3O3
MW 387.87
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
24077527 10.1016/j.ejmech.2013.08.037 Unchecked 2
24077527 10.1016/j.ejmech.2013.08.037 HEK-293T 1
24077527 10.1016/j.ejmech.2013.08.037 NIH3T3 1
24077527 10.1016/j.ejmech.2013.08.037 Plasmodium falciparum 1
24077527 10.1016/j.ejmech.2013.08.037 Papain 1

Data from ChEMBL 36 via Core Engine