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Compound Detail

CHEMBL3039876

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CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NCC(CC)(CC)CO

Basic Information

ChEMBL ID CHEMBL3039876
Phase Preclinical
Structure Type MOL
InChI Key LVGYOZLQPCBCIB-NWSQWKLXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

525.1
MW (Da)
2.79
ALogP
6
HBA
4
HBD
119.1
PSA (Ų)
0.31
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H45ClN4O4
MW 525.13
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness -0.26

Data from ChEMBL 36 via Core Engine