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Compound Detail

CHEMBL408939

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O=c1cc(OCCCn2c3ccccc3c3ccccc32)ccn1Cc1ccccc1Cl

Basic Information

ChEMBL ID CHEMBL408939
Phase Preclinical
Structure Type MOL
InChI Key ZYCNTFPWNABXJA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

442.9
MW (Da)
6.13
ALogP
4
HBA
0
HBD
36.2
PSA (Ų)
0.28
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H23ClN2O2
MW 442.95
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
20698542 10.1021/jm9017724 Toxoplasma gondii 2
18499454 10.1016/j.bmcl.2008.05.004 Enoyl-[acyl-carrier-protein] reductase [NADH] FabI 1
18499454 10.1016/j.bmcl.2008.05.004 Bacillus anthracis 1
20698542 10.1021/jm9017724 HFF 1
20698542 10.1021/jm9017724 Enoyl-acyl carrier reductase 1

Data from ChEMBL 36 via Core Engine