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Compound Detail

CHEMBL1187503

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CC(C)[C@H](N)C(=O)NCCCCCC(=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 CHEMBL1187503
Phase Preclinical
Structure Type MOL
InChI Key LELHDUFWTXDDGA-HNRCZXSPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

826.1
MW (Da)
4.08
ALogP
10
HBA
5
HBD
179.2
PSA (Ų)
0.08
QED
1
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C47H67N7O6
MW 826.10
Aromatic Rings 3
Heavy Atoms 60
NP-Likeness -0.21

Data from ChEMBL 36 via Core Engine