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name Structure Reference Source Properties Activities Metabolism

Phe-Ala

AlkaPlorer ID: AK173033

Synonym: None

IUPAC Name: (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoic acid

Structure

SMILES: C[C@H](N=C(O)[C@@H](N)CC1=CC=CC=C1)C(=O)O

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InChI: InChI=1S/C12H16N2O3/c1-8(12(16)17)14-11(15)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m0/s1

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InChIKey: MIDZLCFIAINOQN-WPRPVWTQSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Trypanosoma brucei Trypanosoma Trypanosomatidae Trypanosomatida Kinetoplastea Euglenozoa None Eukaryota

Properties Information

Molecule Weight: 236.271

TPSA？: 95.91

MolLogP？: 0.9859999999999998

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Oligopeptide transporter small intestine isoform EC50 110000.0 nM 10.1021/jm0511029
Homo sapiens Oligopeptide transporter small intestine isoform IC50 180.0 nM 10.1021/jm031022+
Homo sapiens Oligopeptide transporter small intestine isoform IC50 70000.0 nM 10.1021/jm0511029
Homo sapiens Oligopeptide transporter small intestine isoform Ki 180.0 nM 10.1021/jm031022+
Homo sapiens Oligopeptide transporter small intestine isoform Ki 110000.0 nM 10.1021/jm030976x
Homo sapiens Oligopeptide transporter small intestine isoform Ki 110000.0 nM 10.1021/jm048982w
Homo sapiens Oligopeptide transporter small intestine isoform max activation 108.0 % 10.1021/jm0511029
Homo sapiens Oligopeptide transporter small intestine isoform Ratio 1000.0 None 10.1021/jm0511029
Homo sapiens Solute carrier family 15 member 2 Ki 15848.93 nM 10.1016/j.bmc.2011.06.027
Homo sapiens Solute carrier family 15 member 2 Ki 16000.0 nM 10.1016/j.bmc.2011.06.027
Mus musculus Angiotensin-converting enzyme IC50 1000000.0 nM 10.1021/jm00355a013
Mus musculus Neprilysin IC50 1000.0 nM 10.1021/jm00355a013
Mus musculus Solute carrier family 15 member 2 Km 56600.0 nM 10.1006/bbrc.2000.3546
Rattus norvegicus Neprilysin IC50 nan nM 10.1021/jm00155a027
None NON-PROTEIN TARGET IC50 15500.0 nM 10.1021/jm031022+
None Unchecked IC50 342000.0 nM 10.1021/jm400046q
None Unchecked Inhibition nan % 10.1021/jm400046q
None Unchecked Ki 13100.0 nM 10.1021/jm031022+
None Unchecked T1/2 1.03 hr 10.1021/jm400046q

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT003073 CC(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O)C(C)O>>C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O enzymemap_75802
AKRT011591 COc1cc(NC(C)CCCNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2ccccc2)c2ncccc2c1>>C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O enzymemap_72929
AKRT012296 CSCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O>>C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O enzymemap_66915
AKRT012515 CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O>>C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O enzymemap_75789
AKRT013414 C[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O>>C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O enzymemap_67277
AKRT013440 C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O>>C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O enzymemap_67276
AKRT013586 C[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O enzymemap_90799
AKRT013767 C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1>>C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O enzymemap_66994
AKRT013768 C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O>>C[C@H](N)C(=O)O enzymemap_65569
AKRT013769 C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O enzymemap_65569
AKRT013817 C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O>>C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O enzymemap_74017
AKRT013863 C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)O>>C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O enzymemap_64987
AKRT013865 C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)O>>C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O enzymemap_67272
AKRT013872 C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CN)C(=O)O>>C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O enzymemap_67278
AKRT013874 C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)OCc1ccccc1)C(=O)O>>C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O enzymemap_73858