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Compound Detail

CHEMBL5209429

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COC(=O)C1CCN(Cc2ccc(-n3cc(-c4ccc(C(C)(C)C)cc4)nn3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5209429
Phase Preclinical
Structure Type MOL
InChI Key FPSOTOYAUDAJHH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

432.6
MW (Da)
4.62
ALogP
6
HBA
0
HBD
60.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32N4O2
MW 432.57
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
35077170 10.1021/acs.jmedchem.1c01979 Sphingosine 1-phosphate receptor 1 2
35077170 10.1021/acs.jmedchem.1c01979 ADMET 2
35077170 10.1021/acs.jmedchem.1c01979 Sphingosine 1-phosphate receptor 3 1
35077170 10.1021/acs.jmedchem.1c01979 Cytochrome P450 1A2 1
35077170 10.1021/acs.jmedchem.1c01979 Cytochrome P450 2C19 1
35077170 10.1021/acs.jmedchem.1c01979 Cytochrome P450 2D6 1
35077170 10.1021/acs.jmedchem.1c01979 Cytochrome P450 2C9 1
35077170 10.1021/acs.jmedchem.1c01979 Cytochrome P450 3A4 1

Data from ChEMBL 36 via Core Engine