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Compound Detail

CHEMBL2079403

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CC[C@H](C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2079403
Phase Preclinical
Structure Type MOL
InChI Key OGKHJWOBRXTQPO-YDWJEQILSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

495.1
MW (Da)
3.28
ALogP
5
HBA
3
HBD
98.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H43ClN4O3
MW 495.11
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness -0.20

Data from ChEMBL 36 via Core Engine