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Compound Detail

CHEMBL233712

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Cn1cncc1CN1CC(N(CC(=O)OC(C)(C)C)C(=O)c2ccccc2)Cc2cc(C#N)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL233712
Phase Preclinical
Structure Type MOL
InChI Key AINWPZDLPQCJPR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

485.6
MW (Da)
3.71
ALogP
7
HBA
0
HBD
91.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31N5O3
MW 485.59
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
17722901 10.1021/jm0703340 Plasmodium falciparum 2
17722901 10.1021/jm0703340 Unchecked 1

Data from ChEMBL 36 via Core Engine