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Compound Detail

CHEMBL3718894

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Cc1cc(-c2cc(C3CCN(C4COC4)CC3)n(C(C)C)n2)cnc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3718894
Phase Preclinical
Structure Type MOL
InChI Key TUDQYKXHNYUTET-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

355.5
MW (Da)
2.99
ALogP
6
HBA
1
HBD
69.2
PSA (Ų)
0.91
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 C20H29N5O
MW 355.49
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
28929759 10.1021/acs.jmedchem.7b00843 ADMET 2
28929759 10.1021/acs.jmedchem.7b00843 Mitogen-activated protein kinase kinase kinase 12 1

Data from ChEMBL 36 via Core Engine