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Compound Detail

CHEMBL297227

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Clc1ccc2c(N3CCCN(c4ccnc5cc(Cl)ccc45)CCN(c4ccnc5cc(Cl)ccc45)CCCNCC3)ccnc2c1

Basic Information

ChEMBL ID CHEMBL297227
Phase Preclinical
Structure Type MOL
InChI Key PJQGKBGMEBLEMM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

685.1
MW (Da)
8.49
ALogP
7
HBA
1
HBD
60.4
PSA (Ų)
0.20
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H36Cl3N7
MW 685.10
Aromatic Rings 6
Heavy Atoms 47
NP-Likeness -0.57

Literature References

PubMed DOI Target Context # Activities
11356101 10.1021/jm001096a MRC5 4
11356101 10.1021/jm001096a ADMET 3
16913719 10.1021/jm0602763 ScN2a 3
11356101 10.1021/jm001096a Plasmodium falciparum 1
16913719 10.1021/jm0602763 Plasmodium falciparum 1
16913719 10.1021/jm0602763 MRC5 1

Data from ChEMBL 36 via Core Engine