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Compound Detail

CHEMBL3659988

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O=C(Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)C1CCN(c2ccncc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3659988
Phase Preclinical
Structure Type MOL
InChI Key NJXQUYNZYIQURR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
4.36
ALogP
5
HBA
3
HBD
102.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23N7O
MW 437.51
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.84

Literature References

PubMed DOI Target Context # Activities
29150397 10.1016/j.bmcl.2017.10.041 3-phosphoinositide-dependent protein kinase 1 1

Data from ChEMBL 36 via Core Engine