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Compound Detail

CHEMBL471463

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O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1cnc2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL471463
Phase Preclinical
Structure Type MOL
InChI Key XRFKHTCILVHJLX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
1.79
ALogP
6
HBA
2
HBD
90.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N6O2
MW 430.51
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
19299128 10.1016/j.bmcl.2009.02.125 Phospholipase D1 1
19299128 10.1016/j.bmcl.2009.02.125 Phospholipase D2 1

Data from ChEMBL 36 via Core Engine