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Compound Detail

CHEMBL4084490

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CC(=O)N1CCN(c2cccc(-c3ccc4c(N)ncnn34)c2)C(=O)C1(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4084490
Phase Preclinical
Structure Type MOL
InChI Key SNJBQDJFXPRTIB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
5
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
1.95
ALogP
6
HBA
1
HBD
96.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N6O2
MW 378.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.00

Pharmacokinetic Data

Parameter Value Units Species
Fu - - Homo sapiens

Literature References

PubMed DOI Target Context # Activities
28541707 10.1021/acs.jmedchem.7b00618 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 2
28541707 10.1021/acs.jmedchem.7b00618 ADMET 2
28541707 10.1021/acs.jmedchem.7b00618 Unchecked 1
28541707 10.1021/acs.jmedchem.7b00618 Serum 1
28541707 10.1021/acs.jmedchem.7b00618 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine