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Compound Detail

CHEMBL2078723

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Cc1ccccc1N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)CC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2078723
Phase Preclinical
Structure Type MOL
InChI Key DBHKUQSWOGJDBY-ONTIZHBOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

503.7
MW (Da)
1.40
ALogP
6
HBA
4
HBD
142.0
PSA (Ų)
0.36
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H45N5O4
MW 503.69
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness -0.23

Data from ChEMBL 36 via Core Engine