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Compound Detail

CHEMBL3039740

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CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1ccc(F)cn1

Basic Information

ChEMBL ID CHEMBL3039740
Phase Preclinical
Structure Type MOL
InChI Key ARAQVWPNKFJBQQ-XZDHIHRUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

530.1
MW (Da)
4.18
ALogP
5
HBA
2
HBD
77.6
PSA (Ų)
0.56
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H37ClFN5O2
MW 530.09
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.86

Data from ChEMBL 36 via Core Engine