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Compound Detail

CHEMBL1186016

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CC(C)[C@H](N)C(=O)O[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H](Cc1ccccc1)C[C@H](O)CN1CCN(Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186016
Phase Preclinical
Structure Type MOL
InChI Key GPEOVJJTDGGKOQ-NFXGQCGJSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
1
Publications
0
Known Names

Molecular Properties

712.9
MW (Da)
3.40
ALogP
9
HBA
4
HBD
150.1
PSA (Ų)
0.18
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C41H56N6O5
MW 712.94
Aromatic Rings 3
Heavy Atoms 52
NP-Likeness -0.19

Pharmacokinetic Data

Parameter Value Units Species
F 32.0 % Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
28865281 10.1016/j.ejmech.2017.07.044 ADMET 1

Data from ChEMBL 36 via Core Engine