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Compound Detail

CHEMBL3215636

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CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)C(=O)N[C@H]([C@H](O)C3CCCCC3)C(=O)N4CCN(C)C)cc2)cc1.Cl.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3215636
Phase Preclinical
Structure Type MOL
InChI Key YOKFPEZSTRIYHR-SEILFYAJSA-N
Parent Compound CHEMBL1851701
Active Moiety CHEMBL1851701
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

605.8
MW (Da)
3.00
ALogP
7
HBA
3
HBD
114.5
PSA (Ų)
0.38
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H49Cl2N5O5
MW 678.70
Aromatic Rings 2
Heavy Atoms 44
NP-Likeness -0.46

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21658961 10.1016/j.bmc.2011.05.022 C-C chemokine receptor type 5 2

Data from ChEMBL 36 via Core Engine