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Compound Detail

CHEMBL4302403

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CC1(C)CCC2(CC1)N[C@H](C(=O)N[C@H]1CC[C@H](C(N)=O)OC1)[C@@H](c1ccnc(Cl)c1F)[C@@]21C(=O)Nc2cc(Cl)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302403
Phase Preclinical
Structure Type MOL
InChI Key RYAYYVTWKAOAJF-UJPRGNGQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

618.5
MW (Da)
3.96
ALogP
6
HBA
4
HBD
135.4
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H34Cl2FN5O4
MW 618.54
Aromatic Rings 2
Heavy Atoms 42
NP-Likeness 0.13

Data from ChEMBL 36 via Core Engine