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Compound Detail

CHEMBL1808994

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NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1808994
Phase Preclinical
Structure Type MOL
InChI Key UNHPFFHUMWFKAQ-AUUYWEPGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
3.13
ALogP
2
HBA
3
HBD
91.2
PSA (Ų)
0.64
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 C22H20N4O2
MW 372.43
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.05

Literature References

PubMed DOI Target Context # Activities
21764306 10.1016/j.bmcl.2011.06.070 C-X-C chemokine receptor type 3 2

Data from ChEMBL 36 via Core Engine