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Compound Detail

CHEMBL59492

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Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(NCc3ccccc3)CC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL59492
Phase Preclinical
Structure Type MOL
InChI Key TXJVJGOVBNVZNM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

419.6
MW (Da)
4.55
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H37N3O
MW 419.61
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
15055994 10.1021/jm031046g C-C chemokine receptor type 5 4

Data from ChEMBL 36 via Core Engine