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Compound Detail

CHEMBL5171807

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Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(C#N)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5171807
Phase Preclinical
Structure Type MOL
InChI Key YIRKPANMABMDIQ-KHUIQGCPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

544.7
MW (Da)
5.88
ALogP
7
HBA
1
HBD
86.8
PSA (Ų)
0.45
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H38F2N6OS
MW 544.72
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
36472561 10.1021/acs.jmedchem.2c01383 C-C chemokine receptor type 5 1
36472561 10.1021/acs.jmedchem.2c01383 Human immunodeficiency virus 1 1
36472561 10.1021/acs.jmedchem.2c01383 TZM 1

Data from ChEMBL 36 via Core Engine