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Compound Detail

CHEMBL440515

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N=C(N)N1CCCC(C[C@H]2C(=O)N(C(=O)N3CCN(C(=O)CCCCCc4ccccc4)CC3)[C@@H]2C(=O)O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL440515
Phase Preclinical
Structure Type MOL
InChI Key FHCQLMSOTXBNCN-MKXPUETBSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
3
Publications
0
Known Names

Molecular Properties

540.7
MW (Da)
1.96
ALogP
5
HBA
3
HBD
151.3
PSA (Ų)
0.19
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H40N6O5
MW 540.67
Aromatic Rings 1
Heavy Atoms 39
NP-Likeness -0.02

Pharmacokinetic Data

Parameter Value Units Species
T1/2 48.0 hr -
T1/2 17.5 hr -

Literature References

PubMed DOI Target Context # Activities
12372541 10.1016/s0960-894x(02)00689-3 Unchecked 5
12372541 10.1016/s0960-894x(02)00689-3 No relevant target 2
12372541 10.1016/s0960-894x(02)00689-3 Tryptase 1

Data from ChEMBL 36 via Core Engine